A0A060D7H5_MAIZE Loading...

G2-like transcription factor

AlphaFold DB , UniProt , Accession A0A060D7H5, Species MAIZE (Zea mays, Maize), Gene GLK53, Length 376 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.8Low59.4Low243 Ų243151.5 Ų151.5100%1.19787%0.873SS**  01330-75.5160.9157.800108.4
2F59.3Low58.2Low203 Ų203147.7 Ų147.789%0.8987%0.874SS**  trans-101.2169.8168.6-77.6-64.7000107.7
3P65.6Low57.2Low113 Ų113144.5 Ų144.573%0.73487%0.874SS**  cis-155.4164.340.743.5-20.9000122
4S52.2Low56.3Low103 Ų103142 Ų14272%0.7288%0.876SS**  trans37127.8134.8-50.80000124.4
5K69.9Low55.4Low203 Ų203139 Ų13988%0.88387%0.871SS**  -140.6126.6122-58-172.8-177.9178.60106.1
6K66.8Low54.6Low204 Ų204137 Ų13789%0.88787%0.872SS**  52136.761.7-78.4-165177.3-175.20114.6
7A56.8Low54.1Low90 Ų90135 Ų13574%0.74487%0.871SS**  cis-177.6139.2-25.700000108.9
8T64.4Low53.8Low151 Ų151135.1 Ų135.193%0.92687%0.869SS**  trans-146.3160.315955.10000109.9
9S57.7Low53.4Low121 Ų121133.6 Ų133.685%0.84686%0.862SS**  trans-154.6137.6-170.156.80000113.2
10S57.3Low53.1Low128 Ų128132.5 Ų132.590%0.89586%0.858SS**  trans-144.7146.1148.560.30000108.6
11A47.8Very low52.8Low107 Ų107133.9 Ų133.988%0.88486%0.858SS**  trans-128.9142.2-177.200000110.1
12A44.9Very low52.3Low106 Ų106129.1 Ų129.188%0.87684%0.838SS**  trans-143.9128.2161.900000107
13A45.3Very low51.7Low107 Ų107122.6 Ų122.688%0.88482%0.817SS**  trans-128.7137.1-176.100000110.4
14A44.6Very low50.9Low109 Ų109127.6 Ų127.690%0.90182%0.822SS**  trans-154.5145.4160.200000107.9
15A42.8Very low50.6Low97 Ų97132.1 Ų132.180%0.80283%0.831SS**  trans-141.7165-179.800000110
16A41.9Very low49.3Very low107 Ų107130.6 Ų130.688%0.88483%0.827SS**  trans65.5159.3-174.700000113.7
17A46.5Very low48Very low103 Ų103125.8 Ų125.885%0.85183%0.826SS**  cis-139.2-171.113.200000112.9
18V49.4Very low47.6Very low137 Ų137128.7 Ų128.783%0.8383%0.826SS**  trans-113.4154.9-175.164.10000111.7
19S46Very low46.5Very low106 Ų106127.3 Ų127.374%0.74182%0.821SS**  trans85.5163157.7-147.70000119.7
20S47.9Very low45.9Very low112 Ų112127.9 Ų127.978%0.78382%0.819SS**  trans83.9126.1164.5-56.80000119.3
21N45.7Very low45Very low162 Ų162130.9 Ų130.987%0.86682%0.819SS**  trans-66.2153.7164.5-63.5-28.3000111
22D45.1Very low44.7Very low143 Ų143131 Ų13177%0.76582%0.82SS**  172.6164.299.4-173.4-125.7000112.7
23S47.6Very low44.7Very low66 Ų66132.9 Ų132.946%0.46282%0.815SS.*  trans73.7122.2150.3-93.90000121.5
24R48.7Very low44.8Very low218 Ų218133 Ų13382%0.82381%0.81SS**  trans67.6100.9136.1-61.1165.9173.7157.8-2.5118.9
25Q45Very low44.9Very low197 Ų197131.9 Ų131.992%0.92181%0.808SS**  -171.987.3118.7-102.8158.563.500114
26Q42.6Very low45.6Very low171 Ų171132.7 Ų132.780%0.79981%0.808SS**  trans-167.996.2136.5-111.217725.900109.9M28Q26-M28 HydrophobicContact CG-CE 4.34Å; Q26-M28 VanDerWaalsContact OE1-CE 3.29Å
27A41Very low45.7Very low104 Ų104130.8 Ų130.886%0.8680%0.799SS**  trans-102.9112.3170.800000108.5
28M47.9Very low46.4Very low151 Ų151133.8 Ų133.874%0.74480%0.8SS**  trans-144.784173.450-166.2171.200109Q26Q26-M28 HydrophobicContact CG-CE 4.34Å; Q26-M28 VanDerWaalsContact OE1-CE 3.29Å
29C40.3Very low46.7Very low121 Ų121132 Ų13282%0.81879%0.789SS**  trans-95116.2-176.351.40000111.3
30V46.5Very low46.9Very low134 Ų134134.6 Ų134.681%0.81279%0.794SS**  trans-156.5148158-108.60000110.8
31Q38.7Very low47.3Very low191 Ų191133.2 Ų133.289%0.89378%0.78SS**  trans6399.1163.7-68.1172.9-28.100117
32A40.4Very low47.8Very low109 Ų109132.4 Ų132.490%0.90178%0.782SS**  trans-85145.1153.700000110
33D45Very low48.1Very low146 Ų146129 Ų12978%0.78176%0.763SS**  trans-147.1145.1161.8-175.322.1000109.5
34S47.7Very low48.8Very low110 Ų110132.6 Ų132.677%0.76979%0.785SS**  trans22.2105.7162.1-58.30000118.6
35G47Very low49.7Very low84 Ų84130 Ų13087%0.86678%0.78SS**  trans-91.8158.9177.300000115.2
36S56.7Low51.4Low115 Ų115126.6 Ų126.680%0.80478%0.775SS**  trans-146.2150.4159.7-172.30000109.7L38S36-L38 PolarHBondContact O-N 3.33Å
37G44.9Very low53.3Low67 Ų67126.8 Ų126.869%0.69177%0.768SS**  trans-70.2118.2-154.700000116.9V39G37-V39 PolarHBondContact O-N 3.27Å; G37-V39 VanDerWaalsContact O-N 3.1Å
38L61.3Low55.6Low165 Ų165124.3 Ų124.386%0.86474%0.741SS**  trans-77.784.1164.7-76.9173.6000111.3S36 L40S36-L38 PolarHBondContact O-N 3.33Å; L38-L40 PolarHBondContact O-N 2.92Å
39V53.8Low57.7Low100 Ų100123.6 Ų123.661%0.60673%0.73SS**  trans-75.3104171.2177.80000110.2G37 T41 R49G37-V39 PolarHBondContact O-N 3.27Å; G37-V39 VanDerWaalsContact O-N 3.1Å; V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.07Å; V39-R49 PolarHBondContact O-NH1 3.43Å
40L51.3Low60.2Low161 Ų161121.4 Ų121.484%0.84370%0.704SS**  trans-71.392.6178.1-60.7178000111.6L38L38-L40 PolarHBondContact O-N 2.92Å
41T55.8Low62.5Low82 Ų82118.1 Ų118.150%0.50368%0.684SS.*  trans-78144.9162.745.50000110.3V39 D43V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.07Å; T41-D43 PolarHBondContact O-N 3.49Å
42T56.4Low65.1Low146 Ų146114.2 Ų114.290%0.89667%0.673SS**SBendtrans-67.281.5-167.151.80000114.7
43D50.7Low67.6Low70 Ų70115.2 Ų115.237%0.37466%0.66SS.*  trans-141.5129.1165.8-94.6-85.8000109.2T41 K45 R47T41-D43 PolarHBondContact O-N 3.49Å; D43-K45 WeakPolarHBondContact CB-O 3.28Å; D43-K45 PolarHBondContact O-N 3.07Å; D43-R47 HydrophobicContact CB-CG 4.39Å; D43-R47 WeakPolarHBondContact OD1-CD 3.26Å; D43-R47 IonicContact OD1-NH1 3.58Å; D43-R47 WeakPolarHBondContact OD2-CD 3.33Å; D43-R47 IonicContact OD2-CZ 3.02Å; D43-R47 IonicContact OD2-NE 2.77Å; D43-R47 IonicContact OD2-NH1 3.89Å; D43-R47 PolarHBondContact OD2-NH1 2.68Å
44P63.8Low70Confident143 Ų143110.1 Ų110.193%0.92963%0.632SS**SBendtrans-70.7-0.2177.530.3-35.6000113.4
45K67.7Low72.3Confident162 Ų162107.6 Ų107.670%0.70461%0.608SS**SBendtrans-117.8124.2169.5-157.477.7172.3-171.80107.8D43 R47D43-K45 WeakPolarHBondContact CB-O 3.28Å; D43-K45 PolarHBondContact O-N 3.07Å; K45-R47 PolarHBondContact O-N 3.23Å
46P79.6Confident74.7Confident127 Ų127109 Ų10983%0.82559%0.592SS**  trans-64.6101.417925.5-33.7000110.5
47R83.2Confident76.5Confident174 Ų174111.3 Ų111.366%0.65758%0.583SS**PPolyproline II helixtrans-76.9131.4176.6-70.7165.575.31755.2109.3D43 K45 R49D43-R47 HydrophobicContact CB-CG 4.39Å; D43-R47 WeakPolarHBondContact OD1-CD 3.26Å; D43-R47 IonicContact OD1-NH1 3.58Å; D43-R47 WeakPolarHBondContact OD2-CD 3.33Å; D43-R47 IonicContact OD2-CZ 3.02Å; D43-R47 IonicContact OD2-NE 2.77Å; D43-R47 IonicContact OD2-NH1 3.89Å; D43-R47 PolarHBondContact OD2-NH1 2.68Å; K45-R47 PolarHBondContact O-N 3.23Å; R47-R49 PolarHBondContact O-N 2.63Å
48L90Very high79Confident53 Ų53108.1 Ų108.128%0.27755%0.55SS.*PPolyproline II helixtrans-64.4119.5176.5-175.4142.4000110.1W50 L85 H89L48-W50 HydrophobicContact CD2-CD2 3.93Å; L48-W50 HydrophobicContact CD2-CG 4.04Å; L48-W50 HydrophobicContact CD2-CZ2 4.27Å; L48-L85 HydrophobicContact CD1-CD1 3.66Å; L48-H89 WeakPolarHBondContact CD1-ND1 3.35Å
49R90.7Very high80.7Confident135 Ų135102.4 Ų102.451%0.50952%0.522SS..PPolyproline II helixtrans-87.8125.9169.6-63.1177.368.7159.11.2108.1V39 R47 T51V39-R49 PolarHBondContact O-NH1 3.43Å; R47-R49 PolarHBondContact O-N 2.63Å; R49-T51 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact O-N 3.16Å
50W93.5Very high82.7Confident75 Ų75101.3 Ų101.328%0.28451%0.513SS..  trans-77.496.8171.4-76100.3000108.9L48 L54 F58 M80 L85 H89 L90 H93L48-W50 HydrophobicContact CD2-CD2 3.93Å; L48-W50 HydrophobicContact CD2-CG 4.04Å; L48-W50 HydrophobicContact CD2-CZ2 4.27Å; W50-L54 HydrophobicContact CE3-CB 4.06Å; W50-L54 HydrophobicContact CZ3-CB 4.31Å; W50-F58 HydrophobicContact CH2-CD2 4.31Å; W50-F58 HydrophobicContact CZ3-CB 4.1Å; W50-F58 HydrophobicContact CZ3-CG 4.45Å; W50-M80 HydrophobicContact CZ3-CE 4.36Å; W50-L85 HydrophobicContact CH2-CD1 4.14Å; W50-L85 HydrophobicContact CZ2-CD1 4.39Å; W50-H89 HydrophobicContact CZ2-CB 4.34Å; W50-L90 HydrophobicContact CH2-CD2 4.09Å; W50-H93 AromaticContact CE2-CD2 3.85Å; W50-H93 AromaticContact CE2-CG 3.57Å; W50-H93 AromaticContact CE2-ND1 4Å; W50-H93 HydrophobicContact CH2-CB 4.18Å; W50-H93 AromaticContact CH2-CD2 3.71Å; W50-H93 HydrophobicContact CZ2-CB 3.43Å; W50-H93 VanDerWaalsContact CZ2-CB 3.43Å; W50-H93 AromaticContact CZ2-CD2 3.71Å; W50-H93 AromaticContact CZ2-CG 3.6Å; W50-H93 AromaticContact CZ3-CD2 3.85Å; W50-H93 AromaticContact NE1-CG 3.88Å; W50-H93 AromaticContact NE1-ND1 3.97Å
51T93.4Very high84.9Confident65 Ų6593.7 Ų93.740%0.39947%0.473SS..  trans-72.3162.5168.459.20000110.4R49 E53 L54 H55R49-T51 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact O-N 3.16Å; T51-E53 VanDerWaalsContact C-N 3.34Å; T51-E53 PolarHBondContact O-N 3.19Å; T51-L54 PolarHBondContact O-N 2.99Å; T51-L54 WeakPolarHBondContact OG1-CB 3.5Å; T51-L54 WeakPolarHBondContact OG1-CG 3.47Å; T51-L54 PolarHBondContact OG1-N 3.5Å; T51-H55 PolarHBondContact O-N 2.89Å
52V93.5Very high86.8Confident109 Ų10989.9 Ų89.966%0.66145%0.449SS*.Hα-helixtrans-58.1-48.2176-177.70000110.2L54 H55 E56V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; V52-H55 CarbonylContact O-C 3.53Å; V52-H55 WeakPolarHBondContact O-CA 3.41Å; V52-H55 WeakPolarHBondContact O-CB 3.43Å; V52-H55 PolarHBondContact O-N 3.44Å; V52-E56 HydrophobicContact CG1-CG 4.25Å; V52-E56 WeakPolarHBondContact O-CG 3.14Å; V52-E56 PolarHBondContact O-N 2.89Å
53E94.2Very high88.7Confident131 Ų13187.6 Ų87.661%0.61244%0.435SS*.Hα-helixtrans-52.3-45.5174.9-59.1167.9-172.300113.2T51 H55 R57T51-E53 VanDerWaalsContact C-N 3.34Å; T51-E53 PolarHBondContact O-N 3.19Å; E53-H55 VanDerWaalsContact C-N 3.31Å; E53-H55 PolarHBondContact O-N 3.02Å; E53-R57 VanDerWaalsContact O-CG 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.32Å; E53-R57 PolarHBondContact O-N 3.35Å; E53-R57 VanDerWaalsContact O-N 3.12Å
54L95.5Very high90.8Very high39 Ų3991 Ų9120%0.20445%0.449CS..Hα-helixtrans-70.4-29177.4-74175.4000112.3W50 T51 V52 F58 M80 V82W50-L54 HydrophobicContact CE3-CB 4.06Å; W50-L54 HydrophobicContact CZ3-CB 4.31Å; T51-L54 PolarHBondContact O-N 2.99Å; T51-L54 WeakPolarHBondContact OG1-CB 3.5Å; T51-L54 WeakPolarHBondContact OG1-CG 3.47Å; T51-L54 PolarHBondContact OG1-N 3.5Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 PolarHBondContact O-N 2.87Å; L54-M80 WeakPolarHBondContact O-CE 3.46Å; L54-V82 HydrophobicContact CD2-CG1 4.17Å; L54-V82 HydrophobicContact CD2-CG2 4.01Å
55H96.2Very high92.4Very high57 Ų5786.5 Ų86.526%0.26442%0.417SS..Hα-helixtrans-72.9-43.9174.6-167101.6000111.7T51 V52 E53 F58 V59 H93T51-H55 PolarHBondContact O-N 2.89Å; V52-H55 CarbonylContact O-C 3.53Å; V52-H55 WeakPolarHBondContact O-CA 3.41Å; V52-H55 WeakPolarHBondContact O-CB 3.43Å; V52-H55 PolarHBondContact O-N 3.44Å; E53-H55 VanDerWaalsContact C-N 3.31Å; E53-H55 PolarHBondContact O-N 3.02Å; H55-F58 CarbonylContact O-C 3.57Å; H55-F58 WeakPolarHBondContact O-CA 3.36Å; H55-F58 WeakPolarHBondContact O-CB 3.22Å; H55-F58 PolarHBondContact O-N 3.09Å; H55-F58 VanDerWaalsContact O-N 3.1Å; H55-V59 WeakPolarHBondContact NE2-CG2 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 3.39Å; H55-H93 AromaticContact CE1-CE1 3.83Å; H55-H93 AromaticContact CE1-NE2 3.63Å; H55-H93 AromaticContact ND1-CE1 3.62Å; H55-H93 AromaticContact ND1-NE2 3.36Å; H55-H93 PolarHBondContact ND1-NE2 3.37Å
56E95.6Very high93.6Very high112 Ų11281.4 Ų81.452%0.52341%0.411SS..Hα-helixtrans-58.2-51.9175.5-70.6170.2159.900110.6V52 F58 V59 D60V52-E56 HydrophobicContact CG1-CG 4.25Å; V52-E56 WeakPolarHBondContact O-CG 3.14Å; V52-E56 PolarHBondContact O-N 2.89Å; E56-F58 PolarHBondContact O-N 2.92Å; E56-F58 VanDerWaalsContact O-N 3.15Å; E56-V59 PolarHBondContact O-N 2.99Å; E56-D60 WeakPolarHBondContact O-CB 3.35Å; E56-D60 PolarHBondContact O-N 3.3Å
57R95.7Very high94.2Very high165 Ų16576.3 Ų76.362%0.62338%0.381SS*.Hα-helixtrans-57.7-30.6174.7-64.9-63-170.9-1762.7113.2E53 A61 M80E53-R57 VanDerWaalsContact O-CG 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.32Å; E53-R57 PolarHBondContact O-N 3.35Å; E53-R57 VanDerWaalsContact O-N 3.12Å; R57-A61 VanDerWaalsContact O-CB 3.27Å; R57-A61 WeakPolarHBondContact O-CB 3.37Å; R57-A61 PolarHBondContact O-N 3.39Å; R57-M80 HydrophobicContact CB-CE 3.98Å
58F97.2Very high94.7Very high0 Ų070 Ų700%036%0.362CS..Hα-helixtrans-74.6-43174.8167.2-87.9000111.9W50 L54 H55 E56 A61 V62 I76 M80 L90 H93 L94 F97W50-F58 HydrophobicContact CH2-CD2 4.31Å; W50-F58 HydrophobicContact CZ3-CB 4.1Å; W50-F58 HydrophobicContact CZ3-CG 4.45Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 PolarHBondContact O-N 2.87Å; H55-F58 CarbonylContact O-C 3.57Å; H55-F58 WeakPolarHBondContact O-CA 3.36Å; H55-F58 WeakPolarHBondContact O-CB 3.22Å; H55-F58 PolarHBondContact O-N 3.09Å; H55-F58 VanDerWaalsContact O-N 3.1Å; E56-F58 PolarHBondContact O-N 2.92Å; E56-F58 VanDerWaalsContact O-N 3.15Å; F58-A61 PolarHBondContact O-N 3.4Å; F58-V62 HydrophobicContact CD1-CG2 4.39Å; F58-V62 HydrophobicContact CD2-CG2 4.43Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.02Å; F58-V62 HydrophobicContact CZ-CG2 3.75Å; F58-V62 WeakPolarHBondContact O-CB 3.27Å; F58-V62 VanDerWaalsContact O-CG2 3.32Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.43Å; F58-I76 HydrophobicContact CD2-CG2 3.85Å; F58-I76 HydrophobicContact CE2-CD1 4.04Å; F58-I76 HydrophobicContact CE2-CG2 4.21Å; F58-M80 HydrophobicContact CB-CE 3.86Å; F58-M80 HydrophobicContact CB-SD 3.83Å; F58-M80 HydrophobicContact CD2-SD 4.21Å; F58-L90 HydrophobicContact CD2-CD2 3.81Å; F58-L90 HydrophobicContact CE2-CD2 4.12Å; F58-H93 AromaticContact CD1-CD2 3.63Å; F58-H93 AromaticContact CD1-NE2 3.69Å; F58-H93 AromaticContact CD2-CD2 3.81Å; F58-H93 AromaticContact CE1-CD2 3.58Å; F58-H93 AromaticContact CE1-NE2 3.79Å; F58-H93 AromaticContact CE2-CD2 3.74Å; F58-H93 AromaticContact CG-CD2 3.76Å; F58-H93 AromaticContact CZ-CD2 3.64Å; F58-L94 HydrophobicContact CE2-CB 4.37Å; F58-L94 HydrophobicContact CZ-CB 4.28Å; F58-L94 HydrophobicContact CZ-CD1 4.08Å; F58-F97 HydrophobicContact CE1-CB 3.99Å; F58-F97 AromaticContact CE1-CD1 3.99Å; F58-F97 HydrophobicContact CE1-CD1 3.99Å; F58-F97 AromaticContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CE1 4.42Å; F58-F97 HydrophobicContact CE1-CE2 4.2Å; F58-F97 AromaticContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CZ-CB 4.11Å; F58-F97 HydrophobicContact CZ-CD1 4.37Å; F58-F97 HydrophobicContact CZ-CG 4.17Å
59V96.5Very high94.9Very high44 Ų4473.3 Ų73.327%0.26738%0.38SS..Hα-helixtrans-66.4-43177171.90000110.9H55 E56 A61 V62 T63 F97H55-V59 WeakPolarHBondContact NE2-CG2 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 3.39Å; E56-V59 PolarHBondContact O-N 2.99Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.32Å; V59-V62 PolarHBondContact O-N 2.9Å; V59-T63 VanDerWaalsContact O-CB 3.28Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.16Å; V59-T63 PolarHBondContact O-OG1 3.38Å; V59-F97 HydrophobicContact CG2-CE2 3.83Å; V59-F97 HydrophobicContact CG2-CZ 4.05Å
60D96.5Very high95Very high78 Ų7874.5 Ų74.542%0.41739%0.389SS..Hα-helixtrans-53.3-51.6170.2-76.1-17000111E56 V62 T63 Q64E56-D60 WeakPolarHBondContact O-CB 3.35Å; E56-D60 PolarHBondContact O-N 3.3Å; D60-V62 PolarHBondContact O-N 3.29Å; D60-T63 PolarHBondContact O-N 3.13Å; D60-Q64 WeakPolarHBondContact O-CB 3.34Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.99Å
61A97Very high95.1Very high0 Ų070.9 Ų70.90%038%0.376CS..Hα-helixtrans-64.5-40.4-178.700000112.4R57 F58 V59 T63 L65 I76 V79 M80R57-A61 VanDerWaalsContact O-CB 3.27Å; R57-A61 WeakPolarHBondContact O-CB 3.37Å; R57-A61 PolarHBondContact O-N 3.39Å; F58-A61 PolarHBondContact O-N 3.4Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.32Å; A61-T63 VanDerWaalsContact C-N 3.35Å; A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 VanDerWaalsContact O-CD1 3.29Å; A61-L65 WeakPolarHBondContact O-CD1 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.33Å; A61-L65 VanDerWaalsContact O-N 3.15Å; A61-I76 HydrophobicContact CB-CG2 4.03Å; A61-V79 HydrophobicContact CB-CB 3.92Å; A61-V79 HydrophobicContact CB-CG1 3.61Å; A61-M80 HydrophobicContact CB-CG 3.89Å
62V97Very high95.3Very high2 Ų270.7 Ų70.71%0.01237%0.374CS..Hα-helixtrans-66.8-37.3175169.70000111.3F58 V59 D60 L65 G66 G67 P68 A71 I76 L94 F97F58-V62 HydrophobicContact CD1-CG2 4.39Å; F58-V62 HydrophobicContact CD2-CG2 4.43Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.02Å; F58-V62 HydrophobicContact CZ-CG2 3.75Å; F58-V62 WeakPolarHBondContact O-CB 3.27Å; F58-V62 VanDerWaalsContact O-CG2 3.32Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.43Å; V59-V62 PolarHBondContact O-N 2.9Å; D60-V62 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 3.43Å; V62-G66 PolarHBondContact O-N 3.04Å; V62-G67 WeakPolarHBondContact O-CA 3.4Å; V62-G67 PolarHBondContact O-N 3.38Å; V62-P68 HydrophobicContact CG1-CB 4.29Å; V62-A71 HydrophobicContact CB-CB 4.31Å; V62-A71 HydrophobicContact CG1-CB 4.1Å; V62-A71 HydrophobicContact CG2-CB 4.05Å; V62-I76 HydrophobicContact CG2-CD1 3.72Å; V62-I76 HydrophobicContact CG2-CG1 4.08Å; V62-L94 HydrophobicContact CG2-CD1 4.23Å; V62-F97 HydrophobicContact CG1-CD1 4.44Å; V62-F97 HydrophobicContact CG1-CE1 3.86Å
63T95.1Very high95.4Very high98 Ų9867.1 Ų67.160%0.60135%0.353SS*.Hα-helixtrans-67.9-47.6178.4-580000111.1V59 D60 A61 L65 G66V59-T63 VanDerWaalsContact O-CB 3.28Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.16Å; V59-T63 PolarHBondContact O-OG1 3.38Å; D60-T63 PolarHBondContact O-N 3.13Å; A61-T63 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 2.87Å; T63-G66 PolarHBondContact O-N 3.42Å
64Q95.5Very high95.6Very high143 Ų14368 Ų6867%0.66836%0.355SS*.Hα-helixtrans-58.1-28.8172.6-72.2172.652.500113.2D60 G66D60-Q64 WeakPolarHBondContact O-CB 3.34Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.99Å; Q64-G66 VanDerWaalsContact C-N 3.31Å
65L95.9Very high95.6Very high48 Ų4868.2 Ų68.225%0.25136%0.358SS..THydrogen-bonded Turntrans-87.29.5177.9-69.9168.5000114.1A61 V62 T63 K70 A71 T75 I76 V79A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 VanDerWaalsContact O-CD1 3.29Å; A61-L65 WeakPolarHBondContact O-CD1 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.33Å; A61-L65 VanDerWaalsContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 2.87Å; L65-K70 VanDerWaalsContact O-CB 3.27Å; L65-K70 WeakPolarHBondContact O-CB 3.49Å; L65-A71 HydrophobicContact CB-CB 3.75Å; L65-A71 HydrophobicContact CD1-CB 3.94Å; L65-T75 WeakPolarHBondContact CD1-OG1 3.49Å; L65-T75 HydrophobicContact CD2-CG2 4.48Å; L65-I76 HydrophobicContact CD1-CB 4.38Å; L65-I76 HydrophobicContact CD1-CG1 3.62Å; L65-V79 HydrophobicContact CD1-CG2 4.49Å
66G93.4Very high95.7Very high55 Ų5565.5 Ų65.557%0.56735%0.345SS*.THydrogen-bonded Turntrans81.827.6177.900000114.3V62 T63 Q64 K70V62-G66 PolarHBondContact O-N 3.04Å; T63-G66 PolarHBondContact O-N 3.42Å; Q64-G66 VanDerWaalsContact C-N 3.31Å; G66-K70 WeakPolarHBondContact O-CG 3.3Å
67G93.5Very high95.7Very high19 Ų1963.6 Ų63.620%0.19634%0.338CS..SBendtrans92.9173.717400000115V62 D69 K70 A71V62-G67 WeakPolarHBondContact O-CA 3.4Å; V62-G67 PolarHBondContact O-N 3.38Å; G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.3Å; G67-K70 PolarHBondContact O-N 3.42Å; G67-A71 WeakPolarHBondContact O-CB 3.44Å; G67-A71 PolarHBondContact O-N 3.3Å
68P93.7Very high95.7Very high41 Ų4165.4 Ų65.427%0.26634%0.344SS..THydrogen-bonded Turntrans-58.6-37-167.621.8-33.9000113.8V62 F97 R98V62-P68 HydrophobicContact CG1-CB 4.29Å; P68-F97 HydrophobicContact CB-CD1 3.91Å; P68-F97 HydrophobicContact CB-CE1 4.04Å; P68-R98 HydrophobicContact CB-CG 3.97Å; P68-R98 VanDerWaalsContact O-CZ 3.22Å; P68-R98 PolarHBondContact O-NE 3.45Å; P68-R98 PolarHBondContact O-NH2 3.18Å
69D93.3Very high95.6Very high124 Ų12468.4 Ų68.466%0.66336%0.362SS*.THydrogen-bonded Turntrans-74.9-30.2-177-56.6-59.5000113.2G67 R98G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.3Å; D69-R98 PolarHBondContact O-NH2 3.12Å; D69-R98 VanDerWaalsContact O-NH2 3.13Å
70K93.9Very high95.6Very high159 Ų15967.3 Ų67.369%0.69136%0.355SS*.THydrogen-bonded Turntrans-87.7-35.9179.5-57.4-55.2-176-174.40112.4L65 G66 G67L65-K70 VanDerWaalsContact O-CB 3.27Å; L65-K70 WeakPolarHBondContact O-CB 3.49Å; G66-K70 WeakPolarHBondContact O-CG 3.3Å; G67-K70 PolarHBondContact O-N 3.42Å
71A95.2Very high95.4Very high0 Ų066.3 Ų66.30%036%0.363CS..  trans-60.9142.2176.600000111.8V62 L65 G67 I76 R98V62-A71 HydrophobicContact CB-CB 4.31Å; V62-A71 HydrophobicContact CG1-CB 4.1Å; V62-A71 HydrophobicContact CG2-CB 4.05Å; L65-A71 HydrophobicContact CB-CB 3.75Å; L65-A71 HydrophobicContact CD1-CB 3.94Å; G67-A71 WeakPolarHBondContact O-CB 3.44Å; G67-A71 PolarHBondContact O-N 3.3Å; A71-I76 HydrophobicContact CB-CD1 3.89Å; A71-I76 HydrophobicContact CB-CG1 3.97Å; A71-R98 PolarHBondContact O-NH2 2.92Å
72T96.4Very high95.2Very high60 Ų6068.9 Ų68.937%0.36838%0.379SS..  trans-123.3151.2177.4770000110.1K74 T75 I76T72-K74 PolarHBondContact O-N 2.74Å; T72-K74 VanDerWaalsContact O-N 3.1Å; T72-T75 PolarHBondContact N-OG1 3.41Å; T72-T75 VanDerWaalsContact N-OG1 3.12Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 PolarHBondContact O-OG1 3.01Å; T72-T75 VanDerWaalsContact O-OG1 3.09Å; T72-T75 PolarHBondContact OG1-N 3.44Å; T72-T75 VanDerWaalsContact OG1-N 3.16Å; T72-T75 PolarHBondContact OG1-OG1 2.89Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 2.94Å
73P96.7Very high94.9Very high35 Ų3578.6 Ų78.623%0.22742%0.421CS..Hα-helixtrans-56.4-32.9179.4-27.436.5000113.4M77 L87 L90 K91 L94P73-M77 VanDerWaalsContact O-CB 3.3Å; P73-M77 WeakPolarHBondContact O-CB 3.44Å; P73-M77 PolarHBondContact O-N 3.36Å; P73-M77 VanDerWaalsContact O-N 3.09Å; P73-L87 HydrophobicContact CB-CD2 4.28Å; P73-L87 WeakPolarHBondContact O-CD2 3.35Å; P73-L90 HydrophobicContact CB-CB 4.16Å; P73-K91 HydrophobicContact CG-CB 4.25Å; P73-L94 HydrophobicContact CG-CD2 3.93Å
74K97.1Very high94.6Very high150 Ų15077.2 Ų77.265%0.65243%0.426SS*.Hα-helixtrans-71-37.3176.4-68.8-172.1-178.7-175.90113.3T72 L87T72-K74 PolarHBondContact O-N 2.74Å; T72-K74 VanDerWaalsContact O-N 3.1Å; K74-L87 HydrophobicContact CB-CD2 4.47Å; K74-L87 HydrophobicContact CG-CD1 4.24Å; K74-L87 HydrophobicContact CG-CD2 3.98Å
75T96.6Very high94.5Very high42 Ų4270.8 Ų70.826%0.25840%0.396SS..Hα-helixtrans-77.6-41.9177.748.10000111.5L65 T72 M77 R78 V79L65-T75 WeakPolarHBondContact CD1-OG1 3.49Å; L65-T75 HydrophobicContact CD2-CG2 4.48Å; T72-T75 PolarHBondContact N-OG1 3.41Å; T72-T75 VanDerWaalsContact N-OG1 3.12Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 PolarHBondContact O-OG1 3.01Å; T72-T75 VanDerWaalsContact O-OG1 3.09Å; T72-T75 PolarHBondContact OG1-N 3.44Å; T72-T75 VanDerWaalsContact OG1-N 3.16Å; T72-T75 PolarHBondContact OG1-OG1 2.89Å; T75-M77 VanDerWaalsContact C-N 3.33Å; T75-M77 PolarHBondContact O-N 3.49Å; T75-R78 PolarHBondContact O-N 3.38Å; T75-R78 VanDerWaalsContact O-N 3.12Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.28Å
76I97.2Very high94.4Very high0 Ų071.4 Ų71.40%040%0.402CS..Hα-helixtrans-58.8-44.5175.1-59.2161.6000110.6F58 A61 V62 L65 A71 T72 R78 V79 M80 L90 L94F58-I76 HydrophobicContact CD2-CG2 3.85Å; F58-I76 HydrophobicContact CE2-CD1 4.04Å; F58-I76 HydrophobicContact CE2-CG2 4.21Å; A61-I76 HydrophobicContact CB-CG2 4.03Å; V62-I76 HydrophobicContact CG2-CD1 3.72Å; V62-I76 HydrophobicContact CG2-CG1 4.08Å; L65-I76 HydrophobicContact CD1-CB 4.38Å; L65-I76 HydrophobicContact CD1-CG1 3.62Å; A71-I76 HydrophobicContact CB-CD1 3.89Å; A71-I76 HydrophobicContact CB-CG1 3.97Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 2.94Å; I76-R78 PolarHBondContact O-N 3.02Å; I76-V79 PolarHBondContact O-N 3.35Å; I76-V79 VanDerWaalsContact O-N 3.16Å; I76-M80 HydrophobicContact CG2-CG 4Å; I76-M80 HydrophobicContact CG2-SD 3.65Å; I76-M80 WeakPolarHBondContact O-CB 3.45Å; I76-M80 WeakPolarHBondContact O-CG 3Å; I76-M80 PolarHBondContact O-N 2.92Å; I76-L90 HydrophobicContact CB-CD2 4.34Å; I76-L90 HydrophobicContact CG2-CD2 3.62Å; I76-L94 HydrophobicContact CD1-CB 4.47Å; I76-L94 HydrophobicContact CD1-CD1 3.85Å; I76-L94 HydrophobicContact CD1-CD2 3.79Å; I76-L94 HydrophobicContact CD1-CG 4.24Å
77M96.2Very high94.5Very high73 Ų7372 Ų7236%0.3639%0.392SS..Hα-helixtrans-57.4-37.4177.4-164.8177.874.400112.7P73 T75 G81 L87 L90P73-M77 VanDerWaalsContact O-CB 3.3Å; P73-M77 WeakPolarHBondContact O-CB 3.44Å; P73-M77 PolarHBondContact O-N 3.36Å; P73-M77 VanDerWaalsContact O-N 3.09Å; T75-M77 VanDerWaalsContact C-N 3.33Å; T75-M77 PolarHBondContact O-N 3.49Å; M77-G81 PolarHBondContact O-N 3.42Å; M77-G81 VanDerWaalsContact O-N 3.15Å; M77-L87 HydrophobicContact CB-CD2 4.15Å; M77-L87 HydrophobicContact CE-CD2 3.97Å; M77-L87 HydrophobicContact CE-CG 4.2Å; M77-L87 HydrophobicContact CG-CD2 4.48Å; M77-L87 HydrophobicContact SD-CD2 3.54Å; M77-L87 VanDerWaalsContact SD-CD2 3.54Å; M77-L87 HydrophobicContact SD-CG 3.7Å; M77-L90 VanDerWaalsContact CA-CD1 3.5Å; M77-L90 HydrophobicContact CB-CD1 3.43Å; M77-L90 VanDerWaalsContact CB-CD1 3.43Å; M77-L90 HydrophobicContact CG-CD1 3.82Å
78R96Very high94.6Very high202 Ų20279.4 Ų79.476%0.76242%0.415SS*.Hα-helixtrans-72.9-38.9178-173.1-175.8-65.6149.7-2.8112.3T75 I76T75-R78 PolarHBondContact O-N 3.38Å; T75-R78 VanDerWaalsContact O-N 3.12Å; I76-R78 PolarHBondContact O-N 3.02Å
79V95.7Very high94.7Very high63 Ų6379.5 Ų79.538%0.38241%0.412SS..Hα-helixtrans-72.9-39.5179.4177.40000111.3A61 L65 T75 I76A61-V79 HydrophobicContact CB-CB 3.92Å; A61-V79 HydrophobicContact CB-CG1 3.61Å; L65-V79 HydrophobicContact CD1-CG2 4.49Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.28Å; I76-V79 PolarHBondContact O-N 3.35Å; I76-V79 VanDerWaalsContact O-N 3.16Å
80M95.4Very high94.8Very high22 Ų2273.6 Ų73.611%0.10838%0.38CS..Hα-helixtrans-71.8-34.6177.5-69.6-176.975.100113.2W50 L54 R57 F58 A61 I76 V82 L85 L90W50-M80 HydrophobicContact CZ3-CE 4.36Å; L54-M80 WeakPolarHBondContact O-CE 3.46Å; R57-M80 HydrophobicContact CB-CE 3.98Å; F58-M80 HydrophobicContact CB-CE 3.86Å; F58-M80 HydrophobicContact CB-SD 3.83Å; F58-M80 HydrophobicContact CD2-SD 4.21Å; A61-M80 HydrophobicContact CB-CG 3.89Å; I76-M80 HydrophobicContact CG2-CG 4Å; I76-M80 HydrophobicContact CG2-SD 3.65Å; I76-M80 WeakPolarHBondContact O-CB 3.45Å; I76-M80 WeakPolarHBondContact O-CG 3Å; I76-M80 PolarHBondContact O-N 2.92Å; M80-V82 HydrophobicContact CB-CG2 4.34Å; M80-V82 PolarHBondContact O-N 3.35Å; M80-L85 HydrophobicContact CB-CD2 4.35Å; M80-L85 HydrophobicContact CE-CD2 3.65Å; M80-L85 HydrophobicContact SD-CD2 3.69Å; M80-L90 HydrophobicContact SD-CD2 3.87Å
81G93.3Very high94.9Very high57 Ų5772.3 Ų72.359%0.58838%0.375SS*.  trans65.3-0.7176.700000116.8M77 K83M77-G81 PolarHBondContact O-N 3.42Å; M77-G81 VanDerWaalsContact O-N 3.15Å; G81-K83 PolarHBondContact O-N 2.86Å
82V93Very high94.9Very high54 Ų5474.5 Ų74.533%0.32739%0.39SS..  trans-64.8116.7-173.2179.20000111.5L54 M80 G84 L85L54-V82 HydrophobicContact CD2-CG1 4.17Å; L54-V82 HydrophobicContact CD2-CG2 4.01Å; M80-V82 HydrophobicContact CB-CG2 4.34Å; M80-V82 PolarHBondContact O-N 3.35Å; V82-G84 PolarHBondContact O-N 3.01Å; V82-L85 HydrophobicContact CB-CB 3.9Å; V82-L85 HydrophobicContact CB-CD2 4.11Å; V82-L85 HydrophobicContact CG1-CB 4.02Å; V82-L85 WeakPolarHBondContact O-CB 3.45Å; V82-L85 PolarHBondContact O-N 3.48Å
83K89.5Confident94.9Very high206 Ų20672.7 Ų72.790%0.89638%0.377SS*.THydrogen-bonded Turntrans-61.1132.6174.3-64.4176.7-177.1172.90109.9G81 L85G81-K83 PolarHBondContact O-N 2.86Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å
84G89.9Confident94.8Very high69 Ų6971.2 Ų71.271%0.71137%0.367SS*.THydrogen-bonded Turntrans85.2-11.1-176.500000115.5V82 T86V82-G84 PolarHBondContact O-N 3.01Å; G84-T86 PolarHBondContact O-N 2.85Å
85L93Very high94.7Very high8 Ų869.4 Ų69.44%0.04236%0.361CS..  trans-76.2107.3174.8-177.359.8000110.6L48 W50 M80 V82 K83 H89 L90L48-L85 HydrophobicContact CD1-CD1 3.66Å; W50-L85 HydrophobicContact CH2-CD1 4.14Å; W50-L85 HydrophobicContact CZ2-CD1 4.39Å; M80-L85 HydrophobicContact CB-CD2 4.35Å; M80-L85 HydrophobicContact CE-CD2 3.65Å; M80-L85 HydrophobicContact SD-CD2 3.69Å; V82-L85 HydrophobicContact CB-CB 3.9Å; V82-L85 HydrophobicContact CB-CD2 4.11Å; V82-L85 HydrophobicContact CG1-CB 4.02Å; V82-L85 WeakPolarHBondContact O-CB 3.45Å; V82-L85 PolarHBondContact O-N 3.48Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; L85-H89 HydrophobicContact CD1-CB 3.86Å; L85-L90 HydrophobicContact CD1-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.04Å; L85-L90 HydrophobicContact CD2-CD2 4.12Å; L85-L90 HydrophobicContact CD2-CG 4.12Å; L85-L90 HydrophobicContact CG-CD1 3.99Å; L85-L90 HydrophobicContact CG-CG 4.03Å
86T94.2Very high94.6Very high60 Ų6074.9 Ų74.937%0.36838%0.381SS..  trans-84.1157.3-176.873.80000113.1G84 Y88 H89 L90G84-T86 PolarHBondContact O-N 2.85Å; T86-Y88 PolarHBondContact O-N 2.87Å; T86-Y88 VanDerWaalsContact O-N 3.15Å; T86-Y88 PolarHBondContact OG1-N 2.78Å; T86-H89 PolarHBondContact O-N 3.47Å; T86-H89 PolarHBondContact OG1-N 3.29Å; T86-H89 PolarHBondContact OG1-ND1 3.19Å; T86-L90 PolarHBondContact O-N 3.05Å
87L95.7Very high94.4Very high69 Ų6976.1 Ų76.136%0.36139%0.387SS..Hα-helixtrans-57.6-23.8168.9-68.3177.6000113.3P73 K74 M77 K91P73-L87 HydrophobicContact CB-CD2 4.28Å; P73-L87 WeakPolarHBondContact O-CD2 3.35Å; K74-L87 HydrophobicContact CB-CD2 4.47Å; K74-L87 HydrophobicContact CG-CD1 4.24Å; K74-L87 HydrophobicContact CG-CD2 3.98Å; M77-L87 HydrophobicContact CB-CD2 4.15Å; M77-L87 HydrophobicContact CE-CD2 3.97Å; M77-L87 HydrophobicContact CE-CG 4.2Å; M77-L87 HydrophobicContact CG-CD2 4.48Å; M77-L87 HydrophobicContact SD-CD2 3.54Å; M77-L87 VanDerWaalsContact SD-CD2 3.54Å; M77-L87 HydrophobicContact SD-CG 3.7Å; L87-K91 WeakPolarHBondContact O-CB 3.39Å; L87-K91 PolarHBondContact O-N 2.97Å
88Y94.8Very high94.4Very high173 Ų17377.5 Ų77.568%0.67839%0.388SS*.Hα-helixtrans-70.2-48.2176.5175-98.6000111.3T86 L90 K91 S92T86-Y88 PolarHBondContact O-N 2.87Å; T86-Y88 VanDerWaalsContact O-N 3.15Å; T86-Y88 PolarHBondContact OG1-N 2.78Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.03Å; Y88-K91 PolarHBondContact O-N 3.47Å; Y88-S92 PolarHBondContact O-N 3.42Å; Y88-S92 PolarHBondContact O-OG 3.08Å
89H95.1Very high94.1Very high43 Ų4374 Ų7420%0.19938%0.384CS..Hα-helixtrans-58.7-43.7175.3-54.2150.3000111L48 W50 L85 T86 S92 H93L48-H89 WeakPolarHBondContact CD1-ND1 3.35Å; W50-H89 HydrophobicContact CZ2-CB 4.34Å; L85-H89 HydrophobicContact CD1-CB 3.86Å; T86-H89 PolarHBondContact O-N 3.47Å; T86-H89 PolarHBondContact OG1-N 3.29Å; T86-H89 PolarHBondContact OG1-ND1 3.19Å; H89-S92 PolarHBondContact O-OG 3.02Å; H89-H93 VanDerWaalsContact O-CB 3.27Å; H89-H93 WeakPolarHBondContact O-CB 3.45Å; H89-H93 PolarHBondContact O-N 3.47Å
90L96.3Very high93.1Very high0 Ų073.2 Ų73.20%039%0.388CS..Hα-helixtrans-70.6-35.7178.6-75.7168.3000113.5W50 F58 P73 I76 M77 M80 L85 T86 Y88 L94W50-L90 HydrophobicContact CH2-CD2 4.09Å; F58-L90 HydrophobicContact CD2-CD2 3.81Å; F58-L90 HydrophobicContact CE2-CD2 4.12Å; P73-L90 HydrophobicContact CB-CB 4.16Å; I76-L90 HydrophobicContact CB-CD2 4.34Å; I76-L90 HydrophobicContact CG2-CD2 3.62Å; M77-L90 VanDerWaalsContact CA-CD1 3.5Å; M77-L90 HydrophobicContact CB-CD1 3.43Å; M77-L90 VanDerWaalsContact CB-CD1 3.43Å; M77-L90 HydrophobicContact CG-CD1 3.82Å; M80-L90 HydrophobicContact SD-CD2 3.87Å; L85-L90 HydrophobicContact CD1-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.04Å; L85-L90 HydrophobicContact CD2-CD2 4.12Å; L85-L90 HydrophobicContact CD2-CG 4.12Å; L85-L90 HydrophobicContact CG-CD1 3.99Å; L85-L90 HydrophobicContact CG-CG 4.03Å; T86-L90 PolarHBondContact O-N 3.05Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.03Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.28Å
91K96.1Very high91.2Very high133 Ų13380.1 Ų80.158%0.57842%0.417SS*.Hα-helixtrans-65.5-47.2175.6-178.7-177.2174.8-172.80111P73 L87 Y88 Q95P73-K91 HydrophobicContact CG-CB 4.25Å; L87-K91 WeakPolarHBondContact O-CB 3.39Å; L87-K91 PolarHBondContact O-N 2.97Å; Y88-K91 PolarHBondContact O-N 3.47Å; K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.18Å; K91-Q95 PolarHBondContact O-N 3.14Å
92S94.8Very high88.9Confident46 Ų4684.3 Ų84.332%0.32242%0.422SS..Hα-helixtrans-69.2-39.3-179.160.60000112.2Y88 H89 K96Y88-S92 PolarHBondContact O-N 3.42Å; Y88-S92 PolarHBondContact O-OG 3.08Å; H89-S92 PolarHBondContact O-OG 3.02Å; S92-K96 PolarHBondContact O-N 3.18Å; S92-K96 VanDerWaalsContact O-N 3.08Å
93H95.5Very high86.9Confident21 Ų2185.2 Ų85.210%0.09743%0.429CS..Hα-helixtrans-70.4-44.4176.9-164.455000112.7W50 H55 F58 H89 Q95 K96 F97W50-H93 AromaticContact CE2-CD2 3.85Å; W50-H93 AromaticContact CE2-CG 3.57Å; W50-H93 AromaticContact CE2-ND1 4Å; W50-H93 HydrophobicContact CH2-CB 4.18Å; W50-H93 AromaticContact CH2-CD2 3.71Å; W50-H93 HydrophobicContact CZ2-CB 3.43Å; W50-H93 VanDerWaalsContact CZ2-CB 3.43Å; W50-H93 AromaticContact CZ2-CD2 3.71Å; W50-H93 AromaticContact CZ2-CG 3.6Å; W50-H93 AromaticContact CZ3-CD2 3.85Å; W50-H93 AromaticContact NE1-CG 3.88Å; W50-H93 AromaticContact NE1-ND1 3.97Å; H55-H93 AromaticContact CE1-CE1 3.83Å; H55-H93 AromaticContact CE1-NE2 3.63Å; H55-H93 AromaticContact ND1-CE1 3.62Å; H55-H93 AromaticContact ND1-NE2 3.36Å; H55-H93 PolarHBondContact ND1-NE2 3.37Å; F58-H93 AromaticContact CD1-CD2 3.63Å; F58-H93 AromaticContact CD1-NE2 3.69Å; F58-H93 AromaticContact CD2-CD2 3.81Å; F58-H93 AromaticContact CE1-CD2 3.58Å; F58-H93 AromaticContact CE1-NE2 3.79Å; F58-H93 AromaticContact CE2-CD2 3.74Å; F58-H93 AromaticContact CG-CD2 3.76Å; F58-H93 AromaticContact CZ-CD2 3.64Å; H89-H93 VanDerWaalsContact O-CB 3.27Å; H89-H93 WeakPolarHBondContact O-CB 3.45Å; H89-H93 PolarHBondContact O-N 3.47Å; H93-Q95 VanDerWaalsContact C-N 3.3Å; H93-Q95 PolarHBondContact O-N 3.33Å; H93-K96 PolarHBondContact O-N 3.47Å; H93-K96 VanDerWaalsContact O-N 3.16Å; H93-F97 WeakPolarHBondContact O-CB 3.46Å; H93-F97 PolarHBondContact O-N 3.39Å
94L95.8Very high84.5Confident4 Ų482.5 Ų82.52%0.02142%0.419CS..Hα-helixtrans-63.1-35.6174.3-176.766.1000112.3F58 V62 P73 I76 L90 F97 R98F58-L94 HydrophobicContact CE2-CB 4.37Å; F58-L94 HydrophobicContact CZ-CB 4.28Å; F58-L94 HydrophobicContact CZ-CD1 4.08Å; V62-L94 HydrophobicContact CG2-CD1 4.23Å; P73-L94 HydrophobicContact CG-CD2 3.93Å; I76-L94 HydrophobicContact CD1-CB 4.47Å; I76-L94 HydrophobicContact CD1-CD1 3.85Å; I76-L94 HydrophobicContact CD1-CD2 3.79Å; I76-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.28Å; L94-F97 PolarHBondContact O-N 3.21Å; L94-R98 HydrophobicContact CD1-CG 4.44Å; L94-R98 WeakPolarHBondContact O-CB 3.38Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.1Å
95Q94.9Very high82.2Confident112 Ų11286.2 Ų86.252%0.52342%0.415SS..Hα-helixtrans-62.5-45.8172.9-178.5175.5-7.600111.2K91 H93 R98 L99K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.18Å; K91-Q95 PolarHBondContact O-N 3.14Å; H93-Q95 VanDerWaalsContact C-N 3.3Å; H93-Q95 PolarHBondContact O-N 3.33Å; Q95-R98 PolarHBondContact O-N 3.07Å; Q95-L99 HydrophobicContact CG-CD1 4.11Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å; Q95-L99 PolarHBondContact O-N 3.25Å
96K93.3Very high79.6Confident158 Ų15892.8 Ų92.869%0.68745%0.446SS*.Hα-helixtrans-61.3-45.3173.7-74.7-174173.2-166.60112.1S92 H93 R98 L99 G100S92-K96 PolarHBondContact O-N 3.18Å; S92-K96 VanDerWaalsContact O-N 3.08Å; H93-K96 PolarHBondContact O-N 3.47Å; H93-K96 VanDerWaalsContact O-N 3.16Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 2.7Å; K96-L99 PolarHBondContact O-N 3.49Å; K96-G100 PolarHBondContact O-N 3.01Å
97F94.6Very high77.2Confident25 Ų2599 Ų9911%0.1147%0.468CS..Hα-helixtrans-68.2-23-178.4-169.2-96000114F58 V59 V62 P68 H93 L94 P103F58-F97 HydrophobicContact CE1-CB 3.99Å; F58-F97 AromaticContact CE1-CD1 3.99Å; F58-F97 HydrophobicContact CE1-CD1 3.99Å; F58-F97 AromaticContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CE1 4.42Å; F58-F97 HydrophobicContact CE1-CE2 4.2Å; F58-F97 AromaticContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CZ-CB 4.11Å; F58-F97 HydrophobicContact CZ-CD1 4.37Å; F58-F97 HydrophobicContact CZ-CG 4.17Å; V59-F97 HydrophobicContact CG2-CE2 3.83Å; V59-F97 HydrophobicContact CG2-CZ 4.05Å; V62-F97 HydrophobicContact CG1-CD1 4.44Å; V62-F97 HydrophobicContact CG1-CE1 3.86Å; P68-F97 HydrophobicContact CB-CD1 3.91Å; P68-F97 HydrophobicContact CB-CE1 4.04Å; H93-F97 WeakPolarHBondContact O-CB 3.46Å; H93-F97 PolarHBondContact O-N 3.39Å; L94-F97 PolarHBondContact O-N 3.21Å; F97-P103 HydrophobicContact CD2-CG 4.01Å; F97-P103 HydrophobicContact CE2-CG 3.52Å; F97-P103 HydrophobicContact CZ-CG 4.39Å
98R94.8Very high74.4Confident102 Ų102102.3 Ų102.339%0.38549%0.486SS..Hα-helixtrans-79.8-38.3170.9-76.2167.2173.4-156.9-10.3113.1P68 D69 A71 L94 Q95 K96P68-R98 HydrophobicContact CB-CG 3.97Å; P68-R98 VanDerWaalsContact O-CZ 3.22Å; P68-R98 PolarHBondContact O-NE 3.45Å; P68-R98 PolarHBondContact O-NH2 3.18Å; D69-R98 PolarHBondContact O-NH2 3.12Å; D69-R98 VanDerWaalsContact O-NH2 3.13Å; A71-R98 PolarHBondContact O-NH2 2.92Å; L94-R98 HydrophobicContact CD1-CG 4.44Å; L94-R98 WeakPolarHBondContact O-CB 3.38Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.1Å; Q95-R98 PolarHBondContact O-N 3.07Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 2.7Å
99L90.1Very high71.6Confident130 Ų13099.9 Ų99.968%0.68148%0.481SS*.Hα-helixtrans-78.5-41-178.8-66.3171.3000111.4Q95 K96 K101Q95-L99 HydrophobicContact CG-CD1 4.11Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å; Q95-L99 PolarHBondContact O-N 3.25Å; K96-L99 PolarHBondContact O-N 3.49Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.93Å
100G74.9Confident68.9Low45 Ų45105.2 Ų105.246%0.46451%0.506SS..SBendtrans-75.780168.600000110.8K96 Q102K96-G100 PolarHBondContact O-N 3.01Å; G100-Q102 PolarHBondContact O-N 3.24Å
101K55Low66.3Low167 Ų167110 Ų11073%0.72654%0.539SS*.  trans-48.4103.9176.5-60.5171.6-175.41690110.6L99L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.93Å
102Q44.9Very low64.2Low146 Ų146110.2 Ų110.268%0.68255%0.552SS**  trans55.3101.3177.9-71.1-72.82100116.1G100 H104G100-Q102 PolarHBondContact O-N 3.24Å; Q102-H104 HydrophobicContact CB-CB 4.01Å; Q102-H104 HydrophobicContact CG-CB 4.47Å; Q102-H104 PolarHBondContact O-N 3.18Å
103P51.2Low62Low72 Ų72113.5 Ų113.547%0.46856%0.56SS.*  trans-74.338.5155.934.7-34.7000111.7F97 K105F97-P103 HydrophobicContact CD2-CG 4.01Å; F97-P103 HydrophobicContact CE2-CG 3.52Å; F97-P103 HydrophobicContact CZ-CG 4.39Å; P103-K105 PolarHBondContact O-N 3.45Å; P103-K105 VanDerWaalsContact O-N 3.17Å
104H39.4Very low59.6Low150 Ų150119.9 Ų119.969%0.69460%0.595SS**  trans-88.981.2-177.9-177.4-66.8000109.9Q102Q102-H104 HydrophobicContact CB-CB 4.01Å; Q102-H104 HydrophobicContact CG-CB 4.47Å; Q102-H104 PolarHBondContact O-N 3.18Å
105K42.2Very low57.5Low146 Ų146124.2 Ų124.264%0.63563%0.631SS**SBendtrans154.5-34.2143.6-179174.8176.6-163.70113.1P103 F107P103-K105 PolarHBondContact O-N 3.45Å; P103-K105 VanDerWaalsContact O-N 3.17Å; K105-F107 PolarHBondContact O-N 3.3Å
106E38.4Very low55.4Low147 Ų147122.1 Ų122.169%0.68763%0.633SS**THydrogen-bonded Turntrans-95.140.1-157.6-41.3-52.7160.900116.4
107F43.6Very low53.4Low190 Ų190118.8 Ų118.883%0.83364%0.635SS**THydrogen-bonded Turntrans-136.92.3174.6-101.1-78.8000115.7K105K105-F107 PolarHBondContact O-N 3.3Å
108N36.2Very low51.3Low139 Ų139122.1 Ų122.174%0.74367%0.667SS**SBendtrans-147.455179.1-172.142.2000113.3
109E36.5Very low49.3Very low121 Ų121125.6 Ų125.657%0.56569%0.69SS**  trans-152.879.7161.6-120.3166.47400109.9K113E109-K113 HydrophobicContact CG-CD 4.22Å; E109-K113 WeakPolarHBondContact OE1-CD 3.46Å; E109-K113 IonicContact OE1-NZ 2.82Å; E109-K113 WeakPolarHBondContact OE2-CD 3.27Å; E109-K113 IonicContact OE2-NZ 3.92Å; E109-K113 PolarHBondContact OE2-NZ 3.31Å
110H38.8Very low47.2Very low155 Ų155126.8 Ų126.872%0.71869%0.692SS**  trans-116.7120.4168.1-31.472.6000106.1
111S41.3Very low46.1Very low100 Ų100133.8 Ų133.870%0.69972%0.715SS**SBendtrans78.1149.3-171.2-153.60000116.4
112V53Low45.8Very low139 Ų139134.6 Ų134.684%0.84272%0.721SS**SBendtrans74.95163.8-41.40000123.4
113K46.9Very low45.9Very low114 Ų114138.6 Ų138.650%0.49673%0.73SS.*  trans-117-9.5-174.1-135.9-177.4-171.8179.90119.4E109 A115 A116E109-K113 HydrophobicContact CG-CD 4.22Å; E109-K113 WeakPolarHBondContact OE1-CD 3.46Å; E109-K113 IonicContact OE1-NZ 2.82Å; E109-K113 WeakPolarHBondContact OE2-CD 3.27Å; E109-K113 IonicContact OE2-NZ 3.92Å; E109-K113 PolarHBondContact OE2-NZ 3.31Å; K113-A115 PolarHBondContact O-N 3.22Å; K113-A116 PolarHBondContact O-N 3.32Å; K113-A116 VanDerWaalsContact O-N 3.1Å
114D45.3Very low45.8Very low156 Ų156142.1 Ų142.183%0.83475%0.745SS**THydrogen-bonded Turntrans-61-19.6-178.1-57.9-79.9000114.5
115A51.2Low46.3Very low94 Ų94139.9 Ų139.978%0.77775%0.753SS**THydrogen-bonded Turntrans-75.4-19.5177.600000114.7K113K113-A115 PolarHBondContact O-N 3.22Å
116A51Low46.7Very low68 Ų68137.3 Ų137.356%0.56276%0.758SS**THydrogen-bonded Turntrans-85.7-31.8-171.300000113.8K113 A118K113-A116 PolarHBondContact O-N 3.32Å; K113-A116 VanDerWaalsContact O-N 3.1Å; A116-A118 PolarHBondContact O-N 3.22Å
117A52Low47.2Very low88 Ų88135.6 Ų135.673%0.72776%0.763SS**G310 helixtrans-69.8-18.6-173.300000114.1M119A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.37Å
118A50.3Low47.3Very low95 Ų95132.3 Ų132.379%0.78576%0.763SS**G310 helixtrans-76.3-5.9-173.400000115.2A116A116-A118 PolarHBondContact O-N 3.22Å
119M54Low47.9Very low176 Ų176131.5 Ų131.587%0.86777%0.768SS**G310 helixtrans-116.1-0.3-169.4-151.7175.1-70.500115.3A117 M121A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.37Å; M119-M121 PolarHBondContact O-N 2.91Å
120E45.2Very low48.7Very low155 Ų155128.4 Ų128.472%0.72477%0.769SS**  trans-91.115.1-173.5-143.6-174140.500115.2Q122E120-Q122 PolarHBondContact O-N 2.91Å
121M52.6Low49.6Very low191 Ų191128 Ų12894%0.94177%0.769SS**THydrogen-bonded Turntrans-77.820-168.8-156.7169.8177.600115.6M119M119-M121 PolarHBondContact O-N 2.91Å
122Q46.9Very low50.3Low184 Ų184131.6 Ų131.686%0.8678%0.777SS**THydrogen-bonded Turntrans-145.925.4-165-146.4-175.5-28.100118.2E120E120-Q122 PolarHBondContact O-N 2.91Å
123R48.2Very low50.2Low231 Ų231127.9 Ų127.987%0.87277%0.767SS**SBendtrans-132.9-22.4176.7-89.9-168.8167.987.93.1119.9A125R123-A125 PolarHBondContact O-N 3.31Å
124N48.9Very low50.6Low145 Ų145131 Ų13178%0.77578%0.776SS**  trans-99.463.1-166.8-67.1-33.3000114.6
125A50.3Low51.1Low104 Ų104127.8 Ų127.886%0.8677%0.766SS**  trans-94.713.9-179.400000115.1R123R123-A125 PolarHBondContact O-N 3.31Å
126A51.1Low51.5Low92 Ų92130.5 Ų130.576%0.7676%0.764SS**SBendtrans-132.120.2-162.800000116
127S47.4Very low52Low111 Ų111132.2 Ų132.278%0.77676%0.764SS**  trans-149.650.9-177.3-68.20000114.2S129S127-S129 PolarHBondContact O-N 2.89Å
128S45.5Very low52.6Low120 Ų120132.2 Ų132.284%0.83975%0.752SS**  trans-98.653.1-175.9480000114.3
129S50Low53.7Low122 Ų122137.3 Ų137.385%0.85375%0.751SS**SBendtrans-144.2118.6170.4-167.40000111.9S127S127-S129 PolarHBondContact O-N 2.89Å
130G53.3Low54.6Low57 Ų57131.5 Ų131.559%0.58873%0.728SS**SBendtrans119.85.4176.300000117.8
131M57.4Low56.2Low146 Ų146127.2 Ų127.272%0.71971%0.712SS**  trans-92-29.5-176.8-64.9175.674.900114.5G133 R134M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 3.15Å; M131-R134 PolarHBondContact O-N 3.18Å
132M55.1Low57.5Low175 Ų175124.2 Ų124.286%0.86270%0.695SS**Hα-helixtrans-67.1-26.2-170.4-67.8177176.300114.8R134M132-R134 PolarHBondContact O-N 2.87Å
133G52.2Low59.1Low62 Ų62121.2 Ų121.264%0.63968%0.682SS**Hα-helixtrans-72.2-10.7179.800000115.2M131M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 3.15Å
134R55.6Low60.9Low178 Ų178114.3 Ų114.367%0.67266%0.663SS**Hα-helixtrans-86.7-48.3-174.1-59.5174.2-169.5-98.3-0.8111.7M131 M132 M136 N137 D138M131-R134 PolarHBondContact O-N 3.18Å; M132-R134 PolarHBondContact O-N 2.87Å; R134-M136 PolarHBondContact O-N 2.88Å; R134-N137 WeakPolarHBondContact O-CA 3.45Å; R134-N137 WeakPolarHBondContact O-CB 3.3Å; R134-N137 PolarHBondContact O-N 3.11Å; R134-D138 PolarHBondContact O-N 2.93Å
135S55.7Low62.8Low89 Ų89110.9 Ų110.962%0.62264%0.642SS**Hα-helixtrans-55.3-40.5-175.8178.90000114.7D138 R139S135-D138 PolarHBondContact O-N 3.07Å; S135-R139 PolarHBondContact O-N 3.34Å
136M58.7Low64.7Low152 Ų152108.5 Ų108.575%0.74962%0.623SS**Hα-helixtrans-68.8-33.8174.7-74.3-168.4-73.700112.7R134 S140R134-M136 PolarHBondContact O-N 2.88Å; M136-S140 WeakPolarHBondContact O-CB 3.26Å; M136-S140 PolarHBondContact O-N 2.94Å
137N62.6Low66.7Low103 Ų103107.9 Ų107.955%0.55161%0.606SS**Hα-helixtrans-71.2-39.9176.2-165.250.2000111.1R134 R139 S140 V141R134-N137 WeakPolarHBondContact O-CA 3.45Å; R134-N137 WeakPolarHBondContact O-CB 3.3Å; R134-N137 PolarHBondContact O-N 3.11Å; N137-R139 PolarHBondContact O-N 3.29Å; N137-S140 WeakPolarHBondContact O-CB 3.1Å; N137-S140 PolarHBondContact O-N 3.01Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 2.93Å
138D64.5Low68.8Low88 Ų88109.5 Ų109.547%0.47160%0.595SS.*Hα-helixtrans-56.6-50.6173.7-82.2-70.8000111.9R134 S135 S140 V141 H142R134-D138 PolarHBondContact O-N 2.93Å; S135-D138 PolarHBondContact O-N 3.07Å; D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 3.25Å; D138-V141 PolarHBondContact O-N 3.27Å; D138-V141 VanDerWaalsContact O-N 3.15Å; D138-H142 PolarHBondContact O-N 3.39Å; D138-H142 PolarHBondContact O-ND1 3.25Å
139R73.5Confident71.1Confident202 Ų202109.7 Ų109.776%0.76258%0.584SS**Hα-helixtrans-63.2-33.9178.7-165.1174.3-174.6179.42.1112.5S135 N137 M143S135-R139 PolarHBondContact O-N 3.34Å; N137-R139 PolarHBondContact O-N 3.29Å; R139-M143 PolarHBondContact O-N 3.12Å; R139-M143 VanDerWaalsContact O-N 3.13Å
140S72.9Confident73.1Confident55 Ų55109.7 Ų109.739%0.38557%0.57SS.*Hα-helixtrans-67.1-44172.6-174.40000112.2M136 N137 D138 H142 M143 N144M136-S140 WeakPolarHBondContact O-CB 3.26Å; M136-S140 PolarHBondContact O-N 2.94Å; N137-S140 WeakPolarHBondContact O-CB 3.1Å; N137-S140 PolarHBondContact O-N 3.01Å; D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 3.25Å; S140-H142 PolarHBondContact O-N 3.15Å; S140-M143 PolarHBondContact O-N 3.4Å; S140-N144 PolarHBondContact O-N 3.15Å; S140-N144 PolarHBondContact O-ND2 3.16Å
141V78.3Confident75Confident64 Ų64111.1 Ų111.139%0.38856%0.563SS.*Hα-helixtrans-61.2-45.1176.5168.10000110.7N137 D138 M143 N144 E145N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 2.93Å; D138-V141 PolarHBondContact O-N 3.27Å; D138-V141 VanDerWaalsContact O-N 3.15Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.49Å; V141-N144 PolarHBondContact O-N 3.45Å; V141-E145 WeakPolarHBondContact O-CB 3.49Å; V141-E145 PolarHBondContact O-N 3.09Å
142H80.5Confident76.8Confident129 Ų129107.2 Ų107.260%0.59754%0.543SS*.Hα-helixtrans-62.7-37.5176.5-71.975.2000112.4D138 S140 E145 A146D138-H142 PolarHBondContact O-N 3.39Å; D138-H142 PolarHBondContact O-ND1 3.25Å; S140-H142 PolarHBondContact O-N 3.15Å; H142-E145 PolarHBondContact O-N 3.04Å; H142-A146 WeakPolarHBondContact O-CB 3.36Å; H142-A146 PolarHBondContact O-N 3Å
143M80Confident78.7Confident120 Ų120103.8 Ų103.859%0.59153%0.532SS*.Hα-helixtrans-65.6-43.9174.1-175.2-176.8-69.900112R139 S140 V141 E145 A146 I147R139-M143 PolarHBondContact O-N 3.12Å; R139-M143 VanDerWaalsContact O-N 3.13Å; S140-M143 PolarHBondContact O-N 3.4Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.49Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-A146 PolarHBondContact O-N 3.28Å; M143-I147 HydrophobicContact CG-CD1 4.19Å; M143-I147 WeakPolarHBondContact O-CG1 3.28Å; M143-I147 PolarHBondContact O-N 2.92Å
144N86.2Confident80.7Confident86 Ų86105.7 Ų105.746%0.4652%0.524SS..Hα-helixtrans-67-34175.6-78.9-87.2000112.4S140 V141 R148S140-N144 PolarHBondContact O-N 3.15Å; S140-N144 PolarHBondContact O-ND2 3.16Å; V141-N144 PolarHBondContact O-N 3.45Å; N144-R148 WeakPolarHBondContact O-CB 3.35Å; N144-R148 VanDerWaalsContact O-CG 3.29Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.09Å
145E88.9Confident82.5Confident73 Ų73104.1 Ų104.134%0.34152%0.518SS..Hα-helixtrans-63.5-47.6172.2-161.986.7-114.400110.2V141 H142 M143 I147 R148 M149V141-E145 WeakPolarHBondContact O-CB 3.49Å; V141-E145 PolarHBondContact O-N 3.09Å; H142-E145 PolarHBondContact O-N 3.04Å; M143-E145 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.41Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R148 IonicContact OE1-CZ 3.57Å; E145-R148 IonicContact OE1-NH1 3.22Å; E145-R148 PolarHBondContact OE1-NH1 2.89Å; E145-R148 IonicContact OE1-NH2 2.83Å; E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.02Å
146A89.6Confident84.4Confident55 Ų55106.1 Ų106.146%0.45551%0.512SS..Hα-helixtrans-60.6-44.817700000112.7H142 M143 R148 M149 Q150H142-A146 WeakPolarHBondContact O-CB 3.36Å; H142-A146 PolarHBondContact O-N 3Å; M143-A146 PolarHBondContact O-N 3.28Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.29Å; A146-M149 PolarHBondContact O-N 3.16Å; A146-Q150 PolarHBondContact O-N 3.39Å
147I93.5Very high86.1Confident78 Ų78104.1 Ų104.140%0.450%0.504SS..Hα-helixtrans-60.6-43.9174.7-67.9163.8000110.7M143 E145 M149 Q150 M151M143-I147 HydrophobicContact CG-CD1 4.19Å; M143-I147 WeakPolarHBondContact O-CG1 3.28Å; M143-I147 PolarHBondContact O-N 2.92Å; E145-I147 PolarHBondContact O-N 3.41Å; I147-M149 PolarHBondContact O-N 3.1Å; I147-Q150 PolarHBondContact O-N 3.3Å; I147-M151 HydrophobicContact CG2-CE 4.07Å; I147-M151 HydrophobicContact CG2-SD 4.47Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.16Å
148R91.4Very high87.7Confident146 Ų146105.6 Ų105.655%0.55151%0.507SS*.Hα-helixtrans-64.3-38.3176.5-78.4175.254.3-102.9-11.7112.8N144 E145 A146 E152N144-R148 WeakPolarHBondContact O-CB 3.35Å; N144-R148 VanDerWaalsContact O-CG 3.29Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.09Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R148 IonicContact OE1-CZ 3.57Å; E145-R148 IonicContact OE1-NH1 3.22Å; E145-R148 PolarHBondContact OE1-NH1 2.89Å; E145-R148 IonicContact OE1-NH2 2.83Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.29Å; R148-E152 PolarHBondContact O-N 2.87Å
149M92.9Very high89.1Confident124 Ų124105.8 Ų105.861%0.61151%0.505SS*.Hα-helixtrans-64-43.8173.4-71.8176.669.300111.1E145 A146 I147 E152 V153E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.02Å; A146-M149 PolarHBondContact O-N 3.16Å; I147-M149 PolarHBondContact O-N 3.1Å; M149-E152 PolarHBondContact O-N 3.24Å; M149-V153 WeakPolarHBondContact O-CG2 3.34Å; M149-V153 PolarHBondContact O-N 3.1Å
150Q93.1Very high90.2Very high121 Ų121102.3 Ų102.357%0.56550%0.498SS*.Hα-helixtrans-65.2-39.9178.5-167169.41200112.3A146 I147 E152 V153 Q154A146-Q150 PolarHBondContact O-N 3.39Å; I147-Q150 PolarHBondContact O-N 3.3Å; Q150-E152 VanDerWaalsContact C-N 3.34Å; Q150-E152 PolarHBondContact O-N 3.12Å; Q150-V153 PolarHBondContact O-N 3.21Å; Q150-Q154 PolarHBondContact O-N 3.01Å
151M93.1Very high91.2Very high88 Ų88103.9 Ų103.943%0.43350%0.501SS..Hα-helixtrans-62.4-37.8171.6-73.9-176.8174.100112.8I147 R155I147-M151 HydrophobicContact CG2-CE 4.07Å; I147-M151 HydrophobicContact CG2-SD 4.47Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.16Å; M151-R155 WeakPolarHBondContact O-CB 3.36Å; M151-R155 PolarHBondContact O-N 3.28Å
152E94.5Very high92.1Very high64 Ų64107 Ų10730%0.29951%0.511SS..Hα-helixtrans-70-41.6175.9-174.564.6-173.300111.5R148 M149 Q150 Q154 R155 R156R148-E152 PolarHBondContact O-N 2.87Å; M149-E152 PolarHBondContact O-N 3.24Å; Q150-E152 VanDerWaalsContact C-N 3.34Å; Q150-E152 PolarHBondContact O-N 3.12Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.49Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 2.97Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-CZ 2.65Å; E152-R155 IonicContact OE2-NE 2.64Å; E152-R155 PolarHBondContact OE2-NE 2.93Å; E152-R155 IonicContact OE2-NH2 3.74Å; E152-R155 PolarHBondContact OE2-NH2 3.15Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 3.04Å; E152-R156 IonicContact OE1-CZ 3.59Å; E152-R156 VanDerWaalsContact OE1-CZ 3.25Å; E152-R156 IonicContact OE1-NE 3.92Å; E152-R156 PolarHBondContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.38Å
153V95.3Very high92.9Very high103 Ų103105.1 Ų105.162%0.62451%0.509SS*.Hα-helixtrans-59.2-45174.21710000111.2M149 Q150 R155 R156 L157M149-V153 WeakPolarHBondContact O-CG2 3.34Å; M149-V153 PolarHBondContact O-N 3.1Å; Q150-V153 PolarHBondContact O-N 3.21Å; V153-R155 PolarHBondContact O-N 3.46Å; V153-R156 PolarHBondContact O-N 3.16Å; V153-L157 PolarHBondContact O-N 3.08Å
154Q93.1Very high93.6Very high102 Ų102104.8 Ų104.848%0.47751%0.506SS..Hα-helixtrans-62.3-41.2174.2-75.1-176.3-1300112.4Q150 E152 R156 L157 H158Q150-Q154 PolarHBondContact O-N 3.01Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.49Å; Q154-R156 PolarHBondContact O-N 2.87Å; Q154-L157 PolarHBondContact O-N 3.2Å; Q154-H158 WeakPolarHBondContact O-CB 3.27Å; Q154-H158 PolarHBondContact O-N 2.83Å
155R95Very high94.1Very high144 Ų144107.7 Ų107.754%0.54351%0.51SS..Hα-helixtrans-58.5-46.9174.9-169.6-162.6-43.5-63.1-10.3111.7M151 E152 V153 H158 E159M151-R155 WeakPolarHBondContact O-CB 3.36Å; M151-R155 PolarHBondContact O-N 3.28Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 2.97Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-CZ 2.65Å; E152-R155 IonicContact OE2-NE 2.64Å; E152-R155 PolarHBondContact OE2-NE 2.93Å; E152-R155 IonicContact OE2-NH2 3.74Å; E152-R155 PolarHBondContact OE2-NH2 3.15Å; V153-R155 PolarHBondContact O-N 3.46Å; R155-H158 PolarHBondContact O-N 3.22Å; R155-E159 WeakPolarHBondContact O-CB 3.44Å; R155-E159 PolarHBondContact O-N 3.44Å
156R94.2Very high94.5Very high132 Ų132109.3 Ų109.350%0.49852%0.517SS..Hα-helixtrans-65.3-39179.4-63.6-54175.6156.41.8112.4E152 V153 Q154 H158 E159 Q160E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 3.04Å; E152-R156 IonicContact OE1-CZ 3.59Å; E152-R156 VanDerWaalsContact OE1-CZ 3.25Å; E152-R156 IonicContact OE1-NE 3.92Å; E152-R156 PolarHBondContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.38Å; V153-R156 PolarHBondContact O-N 3.16Å; Q154-R156 PolarHBondContact O-N 2.87Å; R156-H158 VanDerWaalsContact C-N 3.34Å; R156-E159 VanDerWaalsContact CD-OE2 3.26Å; R156-E159 WeakPolarHBondContact CD-OE2 3.35Å; R156-E159 IonicContact CZ-OE2 2.7Å; R156-E159 IonicContact NE-OE2 3.99Å; R156-E159 IonicContact NH1-OE2 3.25Å; R156-E159 PolarHBondContact NH1-OE2 3.16Å; R156-E159 PolarHBondContact O-N 2.97Å; R156-Q160 VanDerWaalsContact O-CG 3.29Å; R156-Q160 WeakPolarHBondContact O-CG 3.33Å; R156-Q160 PolarHBondContact O-N 3.42Å
157L95.2Very high94.9Very high110 Ų110110.3 Ų110.358%0.57652%0.515SS*.Hα-helixtrans-63.3-42.3174.5-17660.6000111.3V153 Q154 Q160 L161V153-L157 PolarHBondContact O-N 3.08Å; Q154-L157 PolarHBondContact O-N 3.2Å; L157-Q160 PolarHBondContact O-N 2.9Å; L157-L161 HydrophobicContact CG-CD1 4.2Å; L157-L161 WeakPolarHBondContact O-CB 3.29Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.44Å
158H95.3Very high95Very high134 Ų134109.9 Ų109.962%0.6251%0.511SS*.Hα-helixtrans-65.6-43.6176.8-164.687.2000112.3Q154 R155 R156 Q160 L161 E162Q154-H158 WeakPolarHBondContact O-CB 3.27Å; Q154-H158 PolarHBondContact O-N 2.83Å; R155-H158 PolarHBondContact O-N 3.22Å; R156-H158 VanDerWaalsContact C-N 3.34Å; H158-Q160 VanDerWaalsContact C-N 3.35Å; H158-Q160 PolarHBondContact O-N 3.21Å; H158-L161 PolarHBondContact O-N 2.82Å; H158-E162 PolarHBondContact O-N 2.98Å
159E95Very high95.3Very high91 Ų91107.2 Ų107.243%0.42551%0.506SS..Hα-helixtrans-57.1-44.3174.3-177.4177.5-147.800111.6R155 R156 E162 V163R155-E159 WeakPolarHBondContact O-CB 3.44Å; R155-E159 PolarHBondContact O-N 3.44Å; R156-E159 VanDerWaalsContact CD-OE2 3.26Å; R156-E159 WeakPolarHBondContact CD-OE2 3.35Å; R156-E159 IonicContact CZ-OE2 2.7Å; R156-E159 IonicContact NE-OE2 3.99Å; R156-E159 IonicContact NH1-OE2 3.25Å; R156-E159 PolarHBondContact NH1-OE2 3.16Å; R156-E159 PolarHBondContact O-N 2.97Å; E159-E162 PolarHBondContact O-N 3.43Å; E159-V163 WeakPolarHBondContact O-CG2 3.26Å; E159-V163 PolarHBondContact O-N 2.98Å; E159-V163 VanDerWaalsContact O-N 3.09Å
160Q95.6Very high95.5Very high130 Ų130109 Ų10961%0.60751%0.506SS*.Hα-helixtrans-66.3-41175.2-70.2-68-34.200112.7R156 L157 H158 V163 Q164R156-Q160 VanDerWaalsContact O-CG 3.29Å; R156-Q160 WeakPolarHBondContact O-CG 3.33Å; R156-Q160 PolarHBondContact O-N 3.42Å; L157-Q160 PolarHBondContact O-N 2.9Å; H158-Q160 VanDerWaalsContact C-N 3.35Å; H158-Q160 PolarHBondContact O-N 3.21Å; Q160-V163 PolarHBondContact O-N 3.28Å; Q160-Q164 WeakPolarHBondContact O-CB 3.4Å; Q160-Q164 PolarHBondContact O-N 3.01Å
161L95.3Very high95.6Very high88 Ų88106.5 Ų106.546%0.46150%0.496SS..Hα-helixtrans-65.6-36.4176.5-72.9169.2000112.1L157 H158 Q164 R165L157-L161 HydrophobicContact CG-CD1 4.2Å; L157-L161 WeakPolarHBondContact O-CB 3.29Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.44Å; H158-L161 PolarHBondContact O-N 2.82Å; L161-Q164 PolarHBondContact O-N 3.13Å; L161-R165 VanDerWaalsContact O-CB 3.28Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.83Å
162E96Very high95.8Very high129 Ų129106.2 Ų106.260%0.60349%0.493SS*.Hα-helixtrans-66.8-43.2174.7-173173.8-159.400111.7H158 E159 Q164 R165 H166H158-E162 PolarHBondContact O-N 2.98Å; E159-E162 PolarHBondContact O-N 3.43Å; E162-Q164 PolarHBondContact O-N 2.89Å; E162-R165 PolarHBondContact O-N 3.09Å; E162-H166 WeakPolarHBondContact O-CB 3.49Å; E162-H166 PolarHBondContact O-N 3.12Å
163V96.8Very high95.9Very high89 Ų89105.9 Ų105.954%0.53950%0.502SS..Hα-helixtrans-59.9-45.4173.1170.40000111.1E159 Q160 H166 L167E159-V163 WeakPolarHBondContact O-CG2 3.26Å; E159-V163 PolarHBondContact O-N 2.98Å; E159-V163 VanDerWaalsContact O-N 3.09Å; Q160-V163 PolarHBondContact O-N 3.28Å; V163-H166 PolarHBondContact O-N 3.36Å; V163-L167 WeakPolarHBondContact O-CB 3.46Å; V163-L167 PolarHBondContact O-N 3.13Å
164Q96.2Very high96Very high113 Ų113107.5 Ų107.553%0.52850%0.502SS..Hα-helixtrans-63.6-41.1177-174.162.618.900112Q160 L161 E162 L167 Q168Q160-Q164 WeakPolarHBondContact O-CB 3.4Å; Q160-Q164 PolarHBondContact O-N 3.01Å; L161-Q164 PolarHBondContact O-N 3.13Å; E162-Q164 PolarHBondContact O-N 2.89Å; Q164-L167 PolarHBondContact O-N 3.04Å; Q164-Q168 WeakPolarHBondContact O-CB 3.49Å; Q164-Q168 PolarHBondContact O-N 2.9Å
165R95.2Very high96.2Very high148 Ų148104.1 Ų104.156%0.55850%0.495SS*.Hα-helixtrans-63-41.1175.4-168.1-172-159.3-76.48.6111.7L161 E162 M169L161-R165 VanDerWaalsContact O-CB 3.28Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.83Å; E162-R165 PolarHBondContact O-N 3.09Å; R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 2.96Å
166H97.7Very high96.3Very high106 Ų106103.3 Ų103.349%0.49150%0.496SS..Hα-helixtrans-68-41.3176.4-173.787.6000112E162 V163 M169 R170E162-H166 WeakPolarHBondContact O-CB 3.49Å; E162-H166 PolarHBondContact O-N 3.12Å; V163-H166 PolarHBondContact O-N 3.36Å; H166-M169 PolarHBondContact O-N 2.83Å; H166-R170 WeakPolarHBondContact NE2-CD 3.38Å; H166-R170 WeakPolarHBondContact O-CG 3.33Å; H166-R170 PolarHBondContact O-N 2.83Å; H166-R170 VanDerWaalsContact O-N 3.08Å
167L97.9Very high96.4Very high77 Ų77104.5 Ų104.540%0.40350%0.501SS..Hα-helixtrans-60.2-46.9173.717959.6000111.5V163 Q164 M169 R170 I171V163-L167 WeakPolarHBondContact O-CB 3.46Å; V163-L167 PolarHBondContact O-N 3.13Å; Q164-L167 PolarHBondContact O-N 3.04Å; L167-M169 PolarHBondContact O-N 3.48Å; L167-R170 WeakPolarHBondContact O-CB 3.44Å; L167-R170 PolarHBondContact O-N 2.82Å; L167-R170 VanDerWaalsContact O-N 3.14Å; L167-I171 HydrophobicContact CD1-CD1 4.14Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.19Å
168Q97.1Very high96.5Very high68 Ų68102.8 Ų102.832%0.31849%0.491SS..Hα-helixtrans-55.9-50.4175.6177.159.928.200111.9Q164 R170 I171 E172Q164-Q168 WeakPolarHBondContact O-CB 3.49Å; Q164-Q168 PolarHBondContact O-N 2.9Å; Q168-R170 VanDerWaalsContact C-N 3.26Å; Q168-R170 PolarHBondContact O-N 3.36Å; Q168-I171 PolarHBondContact O-N 3.04Å; Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.24Å
169M96.2Very high96.6Very high90 Ų90102.8 Ų102.844%0.44349%0.491SS..Hα-helixtrans-59.3-35.2177.2-71.1-171.8-5800112.8R165 H166 L167 A173R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 2.96Å; H166-M169 PolarHBondContact O-N 2.83Å; L167-M169 PolarHBondContact O-N 3.48Å; M169-A173 WeakPolarHBondContact O-CB 3.27Å; M169-A173 PolarHBondContact O-N 2.84Å
170R97.6Very high96.6Very high163 Ų163100.1 Ų100.162%0.61548%0.483SS*.Hα-helixtrans-68.4-42.1175.9-75.5-17961.5-165.1-2.5112.7H166 L167 Q168 A173 Q174H166-R170 WeakPolarHBondContact NE2-CD 3.38Å; H166-R170 WeakPolarHBondContact O-CG 3.33Å; H166-R170 PolarHBondContact O-N 2.83Å; H166-R170 VanDerWaalsContact O-N 3.08Å; L167-R170 WeakPolarHBondContact O-CB 3.44Å; L167-R170 PolarHBondContact O-N 2.82Å; L167-R170 VanDerWaalsContact O-N 3.14Å; Q168-R170 VanDerWaalsContact C-N 3.26Å; Q168-R170 PolarHBondContact O-N 3.36Å; R170-A173 PolarHBondContact O-N 2.82Å; R170-Q174 PolarHBondContact O-N 3.49Å
171I95.9Very high96.6Very high67 Ų6797.9 Ų97.934%0.34447%0.474SS..Hα-helixtrans-68.7-39.1178.4-56.5163.1000110.2L167 Q168 A173 Q174 G175 L232L167-I171 HydrophobicContact CD1-CD1 4.14Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.19Å; Q168-I171 PolarHBondContact O-N 3.04Å; I171-A173 PolarHBondContact O-N 2.83Å; I171-Q174 PolarHBondContact O-N 3.33Å; I171-G175 PolarHBondContact O-N 3.15Å; I171-L232 HydrophobicContact CB-CD1 4.04Å; I171-L232 HydrophobicContact CD1-CD1 4.1Å; I171-L232 HydrophobicContact CG2-CD1 3.53Å; I171-L232 HydrophobicContact CG2-CG 4.4Å
172E96.7Very high96.7Very high82 Ų8297.9 Ų97.938%0.38347%0.474SS..Hα-helixtrans-60.8-42.3172.2-77-176.8-143.800113.1Q168 Q174 G175 K176Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.24Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-G175 PolarHBondContact O-N 3.45Å; E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 WeakPolarHBondContact O-CD 3.14Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.31Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE2-NZ 3.61Å; E172-K176 PolarHBondContact OE2-NZ 2.73Å
173A96.6Very high96.6Very high58 Ų5898.3 Ų98.348%0.47948%0.476SS..Hα-helixtrans-62.7-41.6176.100000111.6M169 R170 I171 Y177M169-A173 WeakPolarHBondContact O-CB 3.27Å; M169-A173 PolarHBondContact O-N 2.84Å; R170-A173 PolarHBondContact O-N 2.82Å; I171-A173 PolarHBondContact O-N 2.83Å; A173-Y177 WeakPolarHBondContact O-CB 3.36Å; A173-Y177 PolarHBondContact O-N 2.82Å
174Q97.2Very high96.4Very high136 Ų136100.7 Ų100.764%0.63648%0.479SS*.Hα-helixtrans-64.3-42.8174.4-177.5-179.3-16.200112.2R170 I171 E172 Y177 M178R170-Q174 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 3.33Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-Y177 PolarHBondContact O-N 2.88Å; Q174-M178 WeakPolarHBondContact O-CB 3.29Å; Q174-M178 PolarHBondContact O-N 3.49Å
175G97Very high96.3Very high32 Ų3297.5 Ų97.533%0.3347%0.472SS..Hα-helixtrans-60.7-49176.100000112.1I171 E172 Y177 M178 Q179I171-G175 PolarHBondContact O-N 3.15Å; E172-G175 PolarHBondContact O-N 3.45Å; G175-Y177 VanDerWaalsContact C-N 3.33Å; G175-Y177 PolarHBondContact O-N 3.33Å; G175-M178 PolarHBondContact O-N 2.77Å; G175-Q179 WeakPolarHBondContact O-CB 3.46Å; G175-Q179 PolarHBondContact O-N 2.92Å
176K97Very high96.1Very high127 Ų12798.4 Ų98.455%0.55248%0.477SS*.Hα-helixtrans-59.7-40.6175.2-71.7160-179.6156.50111.8E172 S180E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 WeakPolarHBondContact O-CD 3.14Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.31Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE2-NZ 3.61Å; E172-K176 PolarHBondContact OE2-NZ 2.73Å; K176-S180 WeakPolarHBondContact O-CB 3.48Å; K176-S180 PolarHBondContact O-N 3.48Å
177Y97.8Very high95.8Very high156 Ų15699 Ų9961%0.61248%0.48SS*.Hα-helixtrans-62.7-50.4175.1174.2-111.4000112.2A173 Q174 G175 Q179 S180 I181A173-Y177 WeakPolarHBondContact O-CB 3.36Å; A173-Y177 PolarHBondContact O-N 2.82Å; Q174-Y177 PolarHBondContact O-N 2.88Å; G175-Y177 VanDerWaalsContact C-N 3.33Å; G175-Y177 PolarHBondContact O-N 3.33Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.24Å; Y177-S180 PolarHBondContact O-N 3.36Å; Y177-S180 VanDerWaalsContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 3.02Å; Y177-I181 HydrophobicContact CD1-CD1 4.01Å; Y177-I181 HydrophobicContact CD2-CD1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.54Å; Y177-I181 HydrophobicContact CE2-CD1 4.04Å; Y177-I181 HydrophobicContact CG-CD1 4.45Å; Y177-I181 PolarHBondContact O-N 3.38Å; Y177-I181 VanDerWaalsContact O-N 3.13Å
178M97.1Very high95.3Very high74 Ų74100.3 Ų100.337%0.36549%0.491SS..Hα-helixtrans-59.8-43.8177.3-175.9171.171.200111.8Q174 G175 S180 I181 L182 F229Q174-M178 WeakPolarHBondContact O-CB 3.29Å; Q174-M178 PolarHBondContact O-N 3.49Å; G175-M178 PolarHBondContact O-N 2.77Å; M178-S180 VanDerWaalsContact C-N 3.32Å; M178-S180 PolarHBondContact O-N 3.34Å; M178-I181 PolarHBondContact O-N 2.91Å; M178-I181 VanDerWaalsContact O-N 3.16Å; M178-L182 HydrophobicContact CG-CD1 4.27Å; M178-L182 WeakPolarHBondContact O-CG 3.28Å; M178-L182 PolarHBondContact O-N 3.44Å; M178-F229 HydrophobicContact CE-CD2 4.35Å; M178-F229 HydrophobicContact CE-CG 4.29Å
179Q96Very high94.7Very high134 Ų134102.9 Ų102.963%0.62651%0.506SS*.Hα-helixtrans-58.8-42.6175.6-168.7171.214.100111.6G175 Y177 I181 L182 E183G175-Q179 WeakPolarHBondContact O-CB 3.46Å; G175-Q179 PolarHBondContact O-N 2.92Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.24Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.16Å; Q179-L182 PolarHBondContact O-N 2.97Å; Q179-E183 WeakPolarHBondContact O-CB 3.32Å; Q179-E183 PolarHBondContact O-N 3.5Å
180S96.2Very high93.9Very high36 Ų36102.5 Ų102.525%0.25252%0.517SS..Hα-helixtrans-67.7-25.4177.482.30000114.3K176 Y177 M178 K184K176-S180 WeakPolarHBondContact O-CB 3.48Å; K176-S180 PolarHBondContact O-N 3.48Å; Y177-S180 PolarHBondContact O-N 3.36Å; Y177-S180 VanDerWaalsContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 3.02Å; M178-S180 VanDerWaalsContact C-N 3.32Å; M178-S180 PolarHBondContact O-N 3.34Å; S180-K184 WeakPolarHBondContact O-CB 3.39Å; S180-K184 VanDerWaalsContact O-CD 3.3Å; S180-K184 WeakPolarHBondContact O-CD 3.42Å; S180-K184 WeakPolarHBondContact O-CG 3.45Å; S180-K184 PolarHBondContact O-N 2.99Å
181I96Very high92.5Very high82 Ų8299.3 Ų99.342%0.42152%0.516SS..Hα-helixtrans-75-46.7172.8-68.6163000109.7Y177 M178 Q179 K184 A185Y177-I181 HydrophobicContact CD1-CD1 4.01Å; Y177-I181 HydrophobicContact CD2-CD1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.54Å; Y177-I181 HydrophobicContact CE2-CD1 4.04Å; Y177-I181 HydrophobicContact CG-CD1 4.45Å; Y177-I181 PolarHBondContact O-N 3.38Å; Y177-I181 VanDerWaalsContact O-N 3.13Å; M178-I181 PolarHBondContact O-N 2.91Å; M178-I181 VanDerWaalsContact O-N 3.16Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.16Å; I181-K184 PolarHBondContact O-N 3.49Å; I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.21Å
182L96.1Very high90.8Very high88 Ų8898.7 Ų98.746%0.46153%0.526SS..Hα-helixtrans-61.5-46178.9-67.9171.3000111.1M178 Q179 K184 A185 Y186M178-L182 HydrophobicContact CG-CD1 4.27Å; M178-L182 WeakPolarHBondContact O-CG 3.28Å; M178-L182 PolarHBondContact O-N 3.44Å; Q179-L182 PolarHBondContact O-N 2.97Å; L182-K184 PolarHBondContact O-N 3.38Å; L182-A185 PolarHBondContact O-N 3.29Å; L182-Y186 HydrophobicContact CB-CE2 4.48Å; L182-Y186 WeakPolarHBondContact O-CD2 3.27Å; L182-Y186 PolarHBondContact O-N 3.18Å
183E94.2Very high88.7Confident138 Ų138102 Ų10265%0.64555%0.547SS*.Hα-helixtrans-57.1-46175.6-177.1176.4-14400112Q179 A185 Y186 Q187Q179-E183 WeakPolarHBondContact O-CB 3.32Å; Q179-E183 PolarHBondContact O-N 3.5Å; E183-A185 PolarHBondContact O-N 2.96Å; E183-Y186 PolarHBondContact O-N 3.21Å; E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 PolarHBondContact O-N 2.9Å
184K92.7Very high86.5Confident139 Ų139107.3 Ų107.360%0.60457%0.566SS**Hα-helixtrans-62.8-41.9175.2-75168.9-173.5166.80112.4S180 I181 L182 Q187 T188S180-K184 WeakPolarHBondContact O-CB 3.39Å; S180-K184 VanDerWaalsContact O-CD 3.3Å; S180-K184 WeakPolarHBondContact O-CD 3.42Å; S180-K184 WeakPolarHBondContact O-CG 3.45Å; S180-K184 PolarHBondContact O-N 2.99Å; I181-K184 PolarHBondContact O-N 3.49Å; L182-K184 PolarHBondContact O-N 3.38Å; K184-Q187 PolarHBondContact O-N 3.47Å; K184-T188 WeakPolarHBondContact O-CB 3.41Å; K184-T188 PolarHBondContact O-N 3.17Å; K184-T188 PolarHBondContact O-OG1 2.65Å
185A94Very high84.1Confident46 Ų46105.2 Ų105.238%0.3857%0.572SS.*Hα-helixtrans-63.6-47.217700000111.7I181 L182 E183 Q187 T188 I189I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.21Å; L182-A185 PolarHBondContact O-N 3.29Å; E183-A185 PolarHBondContact O-N 2.96Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 2.79Å; A185-T188 PolarHBondContact O-N 2.94Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 2.84Å
186Y91.6Very high81.6Confident168 Ų168108.5 Ų108.566%0.65960%0.596SS**Hα-helixtrans-59.8-42.3174.4-78.8-63000112.1L182 E183 I189 A190L182-Y186 HydrophobicContact CB-CE2 4.48Å; L182-Y186 WeakPolarHBondContact O-CD2 3.27Å; L182-Y186 PolarHBondContact O-N 3.18Å; E183-Y186 PolarHBondContact O-N 3.21Å; Y186-I189 PolarHBondContact O-N 3.26Å; Y186-A190 VanDerWaalsContact O-CB 3.32Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.05Å
187Q90.6Very high79.1Confident118 Ų118108.7 Ų108.755%0.55161%0.612SS**Hα-helixtrans-66.2-39.2177.4-173.360.783.900112.3E183 K184 A185 I189 A190 T191E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 PolarHBondContact O-N 2.9Å; K184-Q187 PolarHBondContact O-N 3.47Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 2.79Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; Q187-A190 PolarHBondContact O-N 3.49Å; Q187-T191 PolarHBondContact NE2-OG1 2.93Å; Q187-T191 WeakPolarHBondContact O-CB 3.35Å; Q187-T191 PolarHBondContact O-N 3.19Å; Q187-T191 PolarHBondContact O-OG1 3.2Å; Q187-T191 VanDerWaalsContact O-OG1 3.09Å
188T87.2Confident76.4Confident104 Ų104106.6 Ų106.664%0.63862%0.62SS**Hα-helixtrans-62.8-40174.7-62.50000111.8K184 A185 G192K184-T188 WeakPolarHBondContact O-CB 3.41Å; K184-T188 PolarHBondContact O-N 3.17Å; K184-T188 PolarHBondContact O-OG1 2.65Å; A185-T188 PolarHBondContact O-N 2.94Å; T188-G192 PolarHBondContact O-N 2.94Å; T188-G192 VanDerWaalsContact O-N 3.16Å
189I86Confident74Confident122 Ų122108.2 Ų108.263%0.62664%0.636SS**Hα-helixtrans-66.7-49.6174.4-64.7163000110.2A185 Y186 Q187 T191 G192A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 2.84Å; Y186-I189 PolarHBondContact O-N 3.26Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; I189-T191 VanDerWaalsContact C-N 3.25Å; I189-T191 PolarHBondContact O-N 3.49Å; I189-G192 PolarHBondContact O-N 3.28Å
190A78Confident71.4Confident82 Ų82108.9 Ų108.968%0.67865%0.649SS**Hα-helixtrans-64.4-24.5-177.300000114.4Y186 Q187Y186-A190 VanDerWaalsContact O-CB 3.32Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.05Å; Q187-A190 PolarHBondContact O-N 3.49Å
191T69.2Low68.8Low96 Ų96111.8 Ų111.859%0.58968%0.675SS**Hα-helixtrans-94.8-11175.3-55.40000113Q187 I189 D193Q187-T191 PolarHBondContact NE2-OG1 2.93Å; Q187-T191 WeakPolarHBondContact O-CB 3.35Å; Q187-T191 PolarHBondContact O-N 3.19Å; Q187-T191 PolarHBondContact O-OG1 3.2Å; Q187-T191 VanDerWaalsContact O-OG1 3.09Å; I189-T191 VanDerWaalsContact C-N 3.25Å; I189-T191 PolarHBondContact O-N 3.49Å; T191-D193 PolarHBondContact O-N 3.04Å
192G59.5Low66.3Low55 Ų55112.2 Ų112.257%0.56769%0.691SS**Hα-helixtrans-72.6-29.9-165.100000116.6T188 I189 L194T188-G192 PolarHBondContact O-N 2.94Å; T188-G192 VanDerWaalsContact O-N 3.16Å; I189-G192 PolarHBondContact O-N 3.28Å; G192-L194 PolarHBondContact O-N 2.91Å
193D52.3Low63.5Low152 Ų152111.8 Ų111.881%0.81371%0.708SS**THydrogen-bonded Turntrans-86.5-0.8-161.4-93.8-37000116.9T191T191-D193 PolarHBondContact O-N 3.04Å
194L50.8Low61.4Low168 Ų168116 Ų11688%0.8872%0.72SS**SBendtrans-129-3.8-170.2-95.394000118.5G192G192-L194 PolarHBondContact O-N 2.91Å
195A46.4Very low59.1Low93 Ų93119.4 Ų119.477%0.76973%0.734SS**SBendtrans-148.647.7-164.700000119.1
196A45Very low56.6Low100 Ų100122.1 Ų122.183%0.82675%0.751SS**  trans-157.955.7167.600000116.6S198A196-S198 PolarHBondContact O-N 2.85Å
197C43.7Very low54.6Low132 Ų132121.3 Ų121.389%0.89276%0.757SS**  trans-88.184.4174.6-168.60000112.9
198S42.7Very low52.4Low112 Ų112124 Ų12478%0.78377%0.774SS**  trans-163.9154.3158.2-89.40000112.5A196A196-S198 PolarHBondContact O-N 2.85Å
199P44.9Very low50Low108 Ų108122.3 Ų122.370%0.70178%0.778SS**  trans-107.4137-146.236.8-32.3000116.4A201P199-A201 HydrophobicContact CB-CB 4.15Å
200V42.3Very low48.2Very low147 Ų147122.6 Ų122.689%0.89178%0.78SS**  trans-109.475.8150.1-179.30000107.8A202V200-A202 PolarHBondContact O-N 3.01Å
201A41.8Very low46.4Very low98 Ų98125 Ų12581%0.8179%0.789SS**  trans-95.354.5-173.300000112.9P199P199-A201 HydrophobicContact CB-CB 4.15Å
202A42.3Very low44.9Very low91 Ų91128.4 Ų128.475%0.75280%0.798SS**  trans-150.1120.5172.700000110.5V200V200-A202 PolarHBondContact O-N 3.01Å
203G38.7Very low44.1Very low79 Ų79130.8 Ų130.881%0.81481%0.813SS**SBendtrans176.4-83.4-177.700000113.8
204Y50.5Low43.6Very low226 Ų226131.6 Ų131.689%0.88681%0.814SS**  trans-119.398.9-167.657.8-81.1000113
205K43.9Very low43.3Very low210 Ų210131 Ų13191%0.91381%0.811SS**  trans-103.986.4162.7-81.2-175.1176.2-69.30109.7
206S41.4Very low43Very low104 Ų104134.1 Ų134.173%0.72781%0.814SS**  trans-167.5155.3155.8-145.40000113.5
207L48.9Very low43.1Very low150 Ų150134.3 Ų134.379%0.78581%0.805SS**  trans67.4113.3165.8-57.5170.5000118.6
208L44.6Very low42.8Very low175 Ų175134.7 Ų134.792%0.91681%0.807SS**  trans62.8145.2167.4-79.160.6000116.8
209G36.7Very low42.6Very low69 Ų69134 Ų13471%0.71180%0.803SS**  cis160.8110.6-9.300000113.1
210N47.9Very low42.4Very low128 Ų128136.2 Ų136.268%0.68481%0.808SS**  trans67.8107.4174.6-16855.5000118.5
211P41.9Very low42.3Very low133 Ų133138.8 Ų138.886%0.86481%0.807SS**  trans-10473.217338.3-29.5000112.3
212Q37.4Very low42.2Very low166 Ų166140.2 Ų140.278%0.77680%0.801SS**  trans-147.958.7-176.2-155164.9-5.200114.4
213A43Very low42Very low106 Ų106144.2 Ų144.288%0.87681%0.806SS**  trans-151.657.1171.600000111.5
214M40.9Very low42Very low168 Ų168145.2 Ų145.283%0.82881%0.807SS**  trans-91.2149166.2-178.6178.8143.100108.6
215L44.6Very low41.6Very low156 Ų156140 Ų14082%0.81780%0.801SS**  trans7782.6-175.5-46.1172.9000114.7
216D40Very low41.3Very low159 Ų159135.2 Ų135.285%0.8579%0.794SS**  -144149.7119.6-15210.4000113
217V47Very low41.6Very low104 Ų104139.1 Ų139.163%0.6380%0.803SS**  trans-42.9143.5-167162.80000119.2S219V217-S219 WeakPolarHBondContact CG1-OG 3.29Å; V217-S219 PolarHBondContact O-N 3.23Å
218C36.4Very low41.1Very low139 Ų139134.6 Ų134.694%0.93979%0.793SS**SBendtrans-64.183.8158.4-56.40000111.9
219S38.6Very low41Very low98 Ų98134.4 Ų134.469%0.68579%0.785SS**  trans-154.473172.1-73.50000113.2V217V217-S219 WeakPolarHBondContact CG1-OG 3.29Å; V217-S219 PolarHBondContact O-N 3.23Å
220L41.4Very low41.6Very low154 Ų154136.2 Ų136.281%0.80678%0.784SS**  trans-13966.6161.2-164.468.5000109.8D222L220-D222 WeakPolarHBondContact CD1-O 3.37Å
221K40.2Very low41.4Very low201 Ų201132.5 Ų132.587%0.87477%0.768SS**SBendtrans-100.2-0.9175.8-170.5157-179.5171.30113.2
222D39.7Very low41.7Very low129 Ų129130.5 Ų130.569%0.6975%0.749SS**SBendtrans-129.1162.4173.2-63.7-87.2000108.1L220L220-D222 WeakPolarHBondContact CD1-O 3.37Å
223M38.6Very low42.3Very low174 Ų174129.9 Ų129.986%0.85775%0.746SS**  trans72.252-176.4-51.6-62.6174.300116.6
224A38.1Very low42.3Very low100 Ų100129.1 Ų129.183%0.82673%0.728SS**  trans-128.989.3162.800000111.5S226A224-S226 PolarHBondContact O-N 3.2Å
225P41.7Very low42.5Very low118 Ų118128.4 Ų128.477%0.76673%0.727SS**  trans-75.7120.6178.330-33.1000111.9M227P225-M227 PolarHBondContact O-N 3.46Å
226S38.9Very low42.6Very low108 Ų108127.4 Ų127.476%0.75572%0.717SS**  trans50.157.9150.4-167.30000118.1A224 G228A224-S226 PolarHBondContact O-N 3.2Å; S226-G228 PolarHBondContact O-N 3.01Å
227M46.6Very low43Very low186 Ų186126.8 Ų126.892%0.91671%0.711SS**  trans-88.620.8162.5-75.2-66.7-68.800113.2P225P225-M227 PolarHBondContact O-N 3.46Å
228G39.3Very low42.8Very low56 Ų56133.2 Ų133.258%0.57773%0.726SS**PPolyproline II helixtrans-79.9124.8170.900000110.6S226S226-G228 PolarHBondContact O-N 3.01Å
229F42.6Very low42.6Very low171 Ų171129.7 Ų129.775%0.7571%0.713SS**PPolyproline II helixtrans-60.3130.9161-88.7-97.8000108.3M178 S231M178-F229 HydrophobicContact CE-CD2 4.35Å; M178-F229 HydrophobicContact CE-CG 4.29Å; F229-S231 PolarHBondContact O-N 3.48Å
230P48Very low42.3Very low106 Ų106129 Ų12969%0.68872%0.721SS**PPolyproline II helixtrans-61.5133.4173.726.5-33.4000109.2
231S43.9Very low41.8Very low50 Ų50125.2 Ų125.235%0.3572%0.72SS.*PPolyproline II helixtrans-65.2147.6169.9-177.40000108.7F229 Q233 D234F229-S231 PolarHBondContact O-N 3.48Å; S231-Q233 PolarHBondContact O-N 3.34Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 WeakPolarHBondContact OG-CG 3.47Å; S231-Q233 PolarHBondContact OG-N 3Å; S231-D234 WeakPolarHBondContact CA-OD2 3.05Å; S231-D234 VanDerWaalsContact CB-OD2 3.3Å; S231-D234 WeakPolarHBondContact CB-OD2 3.34Å; S231-D234 PolarHBondContact N-OD2 3.28Å; S231-D234 WeakPolarHBondContact O-CB 3.47Å; S231-D234 PolarHBondContact O-N 2.95Å
232L48Very low41.4Very low91 Ų91118.6 Ų118.648%0.47671%0.709SS.*THydrogen-bonded Turntrans-59.6-15.2168.8-90.6-176.6000112.6I171I171-L232 HydrophobicContact CB-CD1 4.04Å; I171-L232 HydrophobicContact CD1-CD1 4.1Å; I171-L232 HydrophobicContact CG2-CD1 3.53Å; I171-L232 HydrophobicContact CG2-CG 4.4Å
233Q50.5Low41Very low153 Ų153116.9 Ų116.972%0.71572%0.721SS**THydrogen-bonded Turntrans-72.8-27.9173.9-61.2165.45.900112.3S231 L235 H236S231-Q233 PolarHBondContact O-N 3.34Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 WeakPolarHBondContact OG-CG 3.47Å; S231-Q233 PolarHBondContact OG-N 3Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.49Å; Q233-H236 WeakPolarHBondContact O-CB 3.37Å; Q233-H236 PolarHBondContact O-N 3.27Å
234D42.6Very low41.1Very low90 Ų90115 Ų11548%0.48171%0.71SS.*G310 helixtrans-74.6-24.2-175.7-58.7-41.2000112.4S231 H236 M237S231-D234 WeakPolarHBondContact CA-OD2 3.05Å; S231-D234 VanDerWaalsContact CB-OD2 3.3Å; S231-D234 WeakPolarHBondContact CB-OD2 3.34Å; S231-D234 PolarHBondContact N-OD2 3.28Å; S231-D234 WeakPolarHBondContact O-CB 3.47Å; S231-D234 PolarHBondContact O-N 2.95Å; D234-H236 PolarHBondContact O-N 3.43Å; D234-H236 VanDerWaalsContact O-N 3.12Å; D234-M237 WeakPolarHBondContact O-CB 3.37Å; D234-M237 PolarHBondContact O-N 2.8Å
235L45.9Very low41.1Very low154 Ų154115.3 Ų115.381%0.80671%0.705SS**G310 helixtrans-65-13.5174.9-159.469.4000112.6Q233Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.49Å
236H47.6Very low41.2Very low135 Ų135117.3 Ų117.363%0.62571%0.708SS**G310 helixtrans-81.9-9.8177.8-131165.2000113.5Q233 D234 Y238 G239Q233-H236 WeakPolarHBondContact O-CB 3.37Å; Q233-H236 PolarHBondContact O-N 3.27Å; D234-H236 PolarHBondContact O-N 3.43Å; D234-H236 VanDerWaalsContact O-N 3.12Å; H236-Y238 VanDerWaalsContact C-N 3.33Å; H236-Y238 PolarHBondContact O-N 2.64Å; H236-G239 PolarHBondContact O-N 3.32Å
237M47.3Very low41.1Very low146 Ų146117.9 Ų117.972%0.71970%0.703SS**THydrogen-bonded Turntrans-77.8-3.7-167.4-68.3-70.194.200116.7D234D234-M237 WeakPolarHBondContact O-CB 3.37Å; D234-M237 PolarHBondContact O-N 2.8Å
238Y43.5Very low40.7Very low238 Ų238113.7 Ų113.793%0.93368%0.684SS**THydrogen-bonded Turntrans-103.80172.7-86.3-86.4000114.3H236 G240H236-Y238 VanDerWaalsContact C-N 3.33Å; H236-Y238 PolarHBondContact O-N 2.64Å; Y238-G240 PolarHBondContact O-N 2.76Å
239G32.5Very low40.8Very low65 Ų65118.1 Ų118.167%0.6769%0.689SS**SBendtrans-89.485.8171.300000111.7H236H236-G239 PolarHBondContact O-N 3.32Å
240G31Very low40.8Very low83 Ų83117.5 Ų117.586%0.85669%0.689SS**  trans-75.8131.4-173.100000115.4Y238Y238-G240 PolarHBondContact O-N 2.76Å
241G30.6Very low40.3Very low76 Ų76118.1 Ų118.178%0.78468%0.683SS**  trans116.3130.1153.700000117.5
242G32Very low40Very low62 Ų62122.4 Ų122.464%0.63970%0.699SS**  trans83.690.1157.400000116.8H244G242-H244 PolarHBondContact O-N 2.93Å; G242-H244 VanDerWaalsContact O-N 3.08Å; G242-H244 PolarHBondContact O-ND1 3.49Å
243G33Very low39.7Very low92 Ų92126 Ų12695%0.94871%0.713SS**  trans-63.7107.2176.300000113.8
244H39.1Very low39.1Very low135 Ų135128.2 Ų128.263%0.62572%0.715SS**  trans-145.93168.368.2-74.6000113.4G242 L246G242-H244 PolarHBondContact O-N 2.93Å; G242-H244 VanDerWaalsContact O-N 3.08Å; G242-H244 PolarHBondContact O-ND1 3.49Å; H244-L246 PolarHBondContact O-N 3.24Å
245C38.5Very low39Very low107 Ų107128.3 Ų128.372%0.72372%0.72SS**THydrogen-bonded Turntrans-81.146-166.8-165.80000114.7
246L44.5Very low38.6Very low160 Ų160125.8 Ų125.884%0.83871%0.706SS**THydrogen-bonded Turntrans-132.7-17.3167.4-74.4177.4000113.7H244H244-L246 PolarHBondContact O-N 3.24Å
247D37.2Very low38.2Very low119 Ų119126.6 Ų126.664%0.63671%0.709SS**THydrogen-bonded Turntrans-91.1-37-176.5-160.261.7000112.7Q249 Q250D247-Q249 PolarHBondContact O-N 3.15Å; D247-Q249 VanDerWaalsContact O-N 3.13Å; D247-Q250 PolarHBondContact O-N 3.13Å
248L37.2Very low38Very low98 Ų98123.6 Ų123.651%0.51371%0.708SS.*Hα-helixtrans-65-24.4-171.8-160.564.8000114Q250 Q251L248-Q250 VanDerWaalsContact C-N 3.26Å; L248-Q250 PolarHBondContact O-N 3.42Å; L248-Q251 PolarHBondContact O-N 3.32Å
249Q41.9Very low37.9Very low150 Ų150119 Ų11970%0.70169%0.693SS**Hα-helixtrans-67.1-25.4176.6-173.460.283.100112.7D247D247-Q249 PolarHBondContact O-N 3.15Å; D247-Q249 VanDerWaalsContact O-N 3.13Å
250Q42.4Very low38.4Very low158 Ų158122.2 Ų122.274%0.73869%0.689SS**Hα-helixtrans-95.1-16.1-177.3-126.9169.6105.300113D247 L248D247-Q250 PolarHBondContact O-N 3.13Å; L248-Q250 VanDerWaalsContact C-N 3.26Å; L248-Q250 PolarHBondContact O-N 3.42Å
251Q36.7Very low39.1Very low119 Ų119122 Ų12256%0.55668%0.679SS**Hα-helixtrans-79.6-26.8-179.2-173.2157.2-112.200113.4L248L248-Q251 PolarHBondContact O-N 3.32Å
252M38.5Very low39.5Very low140 Ų140123 Ų12369%0.6967%0.674SS**THydrogen-bonded Turntrans-86.4-4.9-175.2-61.8-146.8-61.400115.7
253E40.6Very low39.7Very low166 Ų166124.7 Ų124.778%0.77668%0.675SS**THydrogen-bonded Turntrans-88.70.4172.2-72.9-152.6142.200113.9
254R38.9Very low39.7Very low200 Ų200127.3 Ų127.376%0.75567%0.667SS**SBendtrans-69.6125.7174.7-87.1-172.416295-0.3110.9
255P39.5Very low39.5Very low91 Ų91128.6 Ų128.659%0.59168%0.677SS**  trans-66.7161.5178.927.9-34.8000112.2E257P255-E257 PolarHBondContact O-N 2.82Å
256M39.3Very low39.3Very low102 Ų102126.7 Ų126.750%0.50268%0.676SS.*THydrogen-bonded Turntrans-64.13.4-167.2-164175.6-76.600116A258 F259 F260M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.24Å; M256-F259 HydrophobicContact CG-CB 4.13Å; M256-F259 WeakPolarHBondContact O-CB 3.33Å; M256-F259 PolarHBondContact O-N 2.81Å; M256-F260 HydrophobicContact CG-CE2 4.06Å; M256-F260 WeakPolarHBondContact O-CD2 3.36Å; M256-F260 HydrophobicContact SD-CE2 4.21Å
257E38.9Very low38.7Very low151 Ų151125 Ų12571%0.70668%0.677SS**Hα-helixtrans-58-36.5-174.9-57.9-173.1160.700112.9P255 F259 F260 A261P255-E257 PolarHBondContact O-N 2.82Å; E257-F259 PolarHBondContact O-N 2.92Å; E257-F260 PolarHBondContact O-N 3.05Å; E257-A261 PolarHBondContact O-N 3.03Å
258A42.6Very low38.6Very low83 Ų83127.2 Ų127.269%0.68669%0.688SS**Hα-helixtrans-64.7-23.4177.200000113.9M256M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.24Å
259F40.9Very low38.5Very low141 Ų141126.6 Ų126.662%0.61870%0.697SS**Hα-helixtrans-77.2-34.9178.2-160.4-95.4000111.6M256 E257 S262M256-F259 HydrophobicContact CG-CB 4.13Å; M256-F259 WeakPolarHBondContact O-CB 3.33Å; M256-F259 PolarHBondContact O-N 2.81Å; E257-F259 PolarHBondContact O-N 2.92Å; F259-S262 PolarHBondContact O-N 3.29Å
260F43.5Very low38.5Very low134 Ų134128.6 Ų128.659%0.58870%0.703SS**Hα-helixtrans-69-35.8175.1-69.6-78.2000112M256 E257 S262 C263M256-F260 HydrophobicContact CG-CE2 4.06Å; M256-F260 WeakPolarHBondContact O-CD2 3.36Å; M256-F260 HydrophobicContact SD-CE2 4.21Å; E257-F260 PolarHBondContact O-N 3.05Å; F260-S262 PolarHBondContact O-N 3.1Å; F260-C263 PolarHBondContact O-N 3.21Å
261A46.2Very low38.5Very low79 Ų79130.3 Ų130.365%0.65371%0.708SS**THydrogen-bonded Turntrans-64.6-7178.400000115.4E257E257-A261 PolarHBondContact O-N 3.03Å
262S39.1Very low38.5Very low95 Ų95135.9 Ų135.966%0.66472%0.724SS**THydrogen-bonded Turntrans-102.9-1.2-179.8-169.60000114.3F259 F260F259-S262 PolarHBondContact O-N 3.29Å; F260-S262 PolarHBondContact O-N 3.1Å
263C35.4Very low38.6Very low98 Ų98134.9 Ų134.966%0.66273%0.728SS**  trans-95-7.6-177-680000114.6F260 I265F260-C263 PolarHBondContact O-N 3.21Å; C263-I265 VanDerWaalsContact C-N 3.26Å; C263-I265 PolarHBondContact O-N 3.49Å
264D32.1Very low38.6Very low147 Ų147133.7 Ų133.779%0.78673%0.732SS**  trans-78.759.8-179.9-75.3-59.9000113.7
265I36.2Very low38.7Very low162 Ų162129.1 Ų129.183%0.83173%0.731SS**  trans-123.777.8169.9-54.9-176.1000109.5C263C263-I265 VanDerWaalsContact C-N 3.26Å; C263-I265 PolarHBondContact O-N 3.49Å
266G33.8Very low39.2Very low68 Ų68130.1 Ų130.170%0.70174%0.737SS**  trans-14370-175.200000114.1
267S32.1Very low39.2Very low123 Ų123134.9 Ų134.986%0.8675%0.751SS**  trans75119.7176.7-430000116.8
268L35Very low39.4Very low167 Ų167132.5 Ų132.587%0.87476%0.757SS**  174.1116.7103.6-174.360.2000112.5
269A35.1Very low39.3Very low84 Ų84134.7 Ų134.769%0.69476%0.757SS**  trans53.2117.4149.400000122.6
270K42.2Very low39.4Very low192 Ų192135.1 Ų135.184%0.83577%0.766SS**  100120.1119.9-152.5161.3-176.7173.70120
271K41.3Very low39.4Very low195 Ų195135.8 Ų135.885%0.84878%0.776SS**  trans82.5123.1159.6-64.8-102.8-177.7172.30119.4
272R37.2Very low39.2Very low235 Ų235134.6 Ų134.689%0.88777%0.772SS**  trans-85.9164.3158.2-72.1178.9169.1177.6-5.1110.8
273P41.3Very low39.3Very low119 Ų119133.8 Ų133.877%0.77378%0.778SS**  -130.8132.3109.336.3-27.2000112.4
274V39.9Very low40Very low141 Ų141139.1 Ų139.186%0.85579%0.79SS**  84.713793175.20000113.8
275S41.8Very low40.8Very low104 Ų104137.5 Ų137.573%0.72779%0.79SS**  trans-133.6163.3-178.1163.80000109.1
276P48.5Very low41.5Very low113 Ų113135.9 Ų135.973%0.73479%0.79SS**  trans-135.1138148.335-20.5000116
277Y39.6Very low42.1Very low202 Ų202139.8 Ų139.879%0.79279%0.792SS**  trans58.1114.7147.2-86.7-85.8000122.4D279Y277-D279 WeakPolarHBondContact CE1-OD2 3.41Å
278A43.5Very low42.9Very low101 Ų101142.2 Ų142.284%0.83579%0.794SS**  -163.8133.4101.600000111.5
279D40.9Very low43.5Very low129 Ų129145.3 Ų145.369%0.6979%0.794SS**  trans-78.9167.2167.2-36.7-103.7000109.8Y277Y277-D279 WeakPolarHBondContact CE1-OD2 3.41Å
280D42.5Very low44.1Very low150 Ų150144.8 Ų144.880%0.80280%0.798SS**  cis-150.3-163.8-5.2-148.1178.2000106.2
281D43Very low43.8Very low147 Ų147144.6 Ų144.679%0.78680%0.8SS**  cis-156.2178.33.2161.5-123.6000107
282G42.4Very low44.4Very low55 Ų55143.8 Ų143.857%0.56780%0.804SS**  trans96.141.913700000118
283G40.6Very low44.8Very low77 Ų77139.9 Ų139.979%0.79480%0.801SS**  trans-74156-179.200000116.4
284K50.6Low44.7Very low211 Ų211143 Ų14392%0.91781%0.806SS**  trans-166157.2149.846.2-156.1171.1-163.80112.1
285S49.7Very low44.9Very low112 Ų112140.1 Ų140.178%0.78380%0.804SS**PPolyproline II helixtrans-73.5155.8-158.8-50.60000116.2
286P49.6Very low45Very low129 Ų129145.5 Ų145.584%0.83882%0.815SS**PPolyproline II helixtrans-69.6157.9170.130.8-35.8000112.7
287M46.8Very low44.7Very low149 Ų149143.7 Ų143.773%0.73482%0.816SS**PPolyproline II helixtrans-72.9140.9-166.1-68.5148.758.100115W289M287-W289 HydrophobicContact CE-CZ2 4.47Å
288L48.8Very low44.9Very low175 Ų175142.1 Ų142.192%0.91682%0.82SS**PPolyproline II helixtrans-74.7141.3149.2-80155.5000109
289W47.6Very low44.9Very low231 Ų231143.4 Ų143.488%0.87582%0.817SS**PPolyproline II helixtrans-92.4121.7163.1-70.987.3000108.1M287M287-W289 HydrophobicContact CE-CZ2 4.47Å
290G48.7Very low45.1Very low74 Ų74144.9 Ų144.976%0.76383%0.825SS**PPolyproline II helixtrans-101.6144.5170.400000110.4
291E36.6Very low44.9Very low188 Ų188144.3 Ų144.388%0.87982%0.817SS**PPolyproline II helixtrans-77.3141.5169.5-62.814810100110
292D53.4Low44.7Very low177 Ų177146.7 Ų146.795%0.94782%0.821SS**  trans-166.5164.2154.2-102.8-37.5000110.1
293D44.2Very low44.5Very low153 Ų153152.1 Ų152.182%0.81883%0.831SS**  trans-112.6-173.4-150.3-146.8-67.7000116
294E41.2Very low44.6Very low186 Ų186156.7 Ų156.787%0.86983%0.834SS**  trans71.2120.4166.2-59-153.993.600120.2
295G42Very low44.4Very low80 Ų80150.7 Ų150.783%0.82582%0.824SS**  trans-175.832.8179.400000121.5
296K45.2Very low44.9Very low217 Ų217151.1 Ų151.194%0.94382%0.824SS**  trans15.3118.5165.4-73.3173.8176.1164.90119.4
297G41.3Very low45.4Very low75 Ų75151 Ų15177%0.77382%0.823SS**  trans-166.568.7171.300000119.1
298I44.4Very low45.2Very low168 Ų168152.1 Ų152.186%0.86283%0.829SS**  trans51.6120.8151.7-61.3176.6000119.4
299V43.2Very low45.7Very low128 Ų128152.7 Ų152.778%0.77683%0.829SS**  trans-42.6151.3167.2-68.90000116.9
300D45Very low45.4Very low161 Ų161149.2 Ų149.286%0.86183%0.828SS**  -149.9160.4115-131.5-33.2000112.4
301H39.7Very low45.2Very low137 Ų137150 Ų15063%0.63483%0.827SS**  trans-123.8114-162.9166.793000113.4
302F38.1Very low45.6Very low198 Ų198145.9 Ų145.987%0.86883%0.825SS**  trans-144.1124.1157.7-86.3-72.3000112.8
303Q37.6Very low45.1Very low168 Ų168140.9 Ų140.979%0.78582%0.816SS**  trans-116.1115177.6178.3178.623.800109.4
304M42.2Very low45.3Very low173 Ų173141.1 Ų141.185%0.85282%0.815SS**  trans-124.6128.3174.5-116.367.9-171.700111
305A47.2Very low45.6Very low85 Ų85140.1 Ų140.170%0.70282%0.816SS**PPolyproline II helixtrans-83.5155.6175.500000111.4
306P60.2Low46.4Very low121 Ų121141.5 Ų141.579%0.78681%0.808SS**PPolyproline II helixtrans-65.7128.1172.827.5-34.1000110.5
307P61.1Low46.9Very low126 Ų126139.4 Ų139.482%0.81880%0.804SS**PPolyproline II helixtrans-75.1133.3-179.129.5-33.8000111.7
308M41.6Very low47Very low173 Ų173143.4 Ų143.485%0.85281%0.807SS**PPolyproline II helixtrans-68.6142.8160.462.2-15872.900110.2
309M59.7Low47.3Very low187 Ų187140.9 Ų140.992%0.92180%0.804SS**  trans-135.2132.2161.253.6179.116200109.4
310D40.4Very low47.6Very low158 Ų158142.1 Ų142.185%0.84581%0.805SS**  trans-88176.5-167.8-115.3-57.7000113.3
311A44.7Very low48.1Very low92 Ų92139.3 Ų139.376%0.7681%0.805SS**  trans-47.9142.5-179.200000116
312A46.2Very low48.7Very low100 Ų100140.4 Ų140.483%0.82682%0.815SS**  169.7136.6101.800000114
313G42Very low49.6Very low73 Ų73136.6 Ų136.675%0.75381%0.808SS**  trans75157161.100000116.3
314I48.6Very low50.1Low157 Ų157140.1 Ų140.181%0.80582%0.816SS**  cis-145.1145.53.1-91.1147.3000107.8V316I314-V316 HydrophobicContact CG2-CB 4.42Å; I314-V316 HydrophobicContact CG2-CG2 3.79Å; I314-V316 PolarHBondContact O-N 3.47Å
315D46.7Very low50.2Low166 Ų166135 Ų13589%0.88881%0.806SS**  trans-93.287.8-177.7-158.4-38.2000111.1
316V60.2Low50Low108 Ų108136.8 Ų136.866%0.65580%0.804SS**  trans-150104.4172.8-176.50000110I314I314-V316 HydrophobicContact CG2-CB 4.42Å; I314-V316 HydrophobicContact CG2-CG2 3.79Å; I314-V316 PolarHBondContact O-N 3.47Å
317M54Low49.3Very low174 Ų174136 Ų13686%0.85781%0.809SS**  trans-177.642.8136-123.877.8-178.700114.3S319M317-S319 PolarHBondContact O-N 2.94Å
318D44.2Very low48.8Very low158 Ų158137.4 Ų137.485%0.84580%0.802SS**  trans-95.775.8168.2-160.6-14000110.7
319S50.7Low48.5Very low115 Ų115136.8 Ų136.880%0.80480%0.796SS**  trans-171.279.9176.1-81.50000113.3M317M317-S319 PolarHBondContact O-N 2.94Å
320I50.6Low47.7Very low155 Ų155136.2 Ų136.280%0.79579%0.793SS**  trans-153.44155.5-144.2166.7000115.4D322I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.9Å
321A53.9Low47.9Very low102 Ų102132.7 Ų132.784%0.84378%0.778SS**THydrogen-bonded Turntrans-75.7-10.4-16900000116.1
322D52.9Low48.4Very low159 Ų159137 Ų13785%0.8579%0.785SS**THydrogen-bonded Turntrans-102.24.9-168.3-91.2-53.4000115.7I320 Y324I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.9Å; D322-Y324 PolarHBondContact O-N 3.24Å
323V57.4Low48.1Very low119 Ų119137 Ų13772%0.72178%0.778SS**  trans-98.535.4-172.9-157.10000113.4
324Y48.4Very low48.4Very low242 Ų242138.3 Ų138.395%0.94978%0.776SS**SBendtrans-137.744.4169-99.7-77.9000112.8D322D322-Y324 PolarHBondContact O-N 3.24Å
325G44.1Very low47.9Very low64 Ų64138 Ų13866%0.6678%0.776SS**  trans-115.3149.3164.800000111.9
326D41.7Very low48.2Very low123 Ų123134.7 Ų134.766%0.65877%0.766SS**  trans6575.3169.9-161.521.6000118.4K328D326-K328 VanDerWaalsContact OD1-CE 3.26Å; D326-K328 WeakPolarHBondContact OD1-CE 3.49Å; D326-K328 VanDerWaalsContact OD1-CG 3.28Å; D326-K328 WeakPolarHBondContact OD1-CG 3.45Å; D326-K328 IonicContact OD1-NZ 2.68Å; D326-K328 PolarHBondContact OD1-NZ 3.18Å; D326-K328 IonicContact OD2-NZ 2.63Å; D326-K328 PolarHBondContact OD2-NZ 2.93Å
327A45.6Very low47.7Very low106 Ų106136.2 Ų136.288%0.87678%0.776SS**  trans-123.3124.3154.200000109.2
328K51.5Low47.2Very low154 Ų154131.6 Ų131.667%0.6777%0.773SS**  trans-99.9136.9-160.8-62-179179.167.80114.2D326 M330D326-K328 VanDerWaalsContact OD1-CE 3.26Å; D326-K328 WeakPolarHBondContact OD1-CE 3.49Å; D326-K328 VanDerWaalsContact OD1-CG 3.28Å; D326-K328 WeakPolarHBondContact OD1-CG 3.45Å; D326-K328 IonicContact OD1-NZ 2.68Å; D326-K328 PolarHBondContact OD1-NZ 3.18Å; D326-K328 IonicContact OD2-NZ 2.63Å; D326-K328 PolarHBondContact OD2-NZ 2.93Å; K328-M330 PolarHBondContact O-N 3.22Å
329H35.2Very low47.4Very low160 Ų160129.6 Ų129.674%0.74177%0.771SS**  trans3.8104.1144.8179.9-76.6000116.9T331H329-T331 PolarHBondContact CE1-OG1 3.26Å; H329-T331 PolarHBondContact NE2-OG1 3.27Å
330M43Very low47.5Very low175 Ų175134.4 Ų134.486%0.86278%0.777SS**  trans-125.9108.4161-75.4-9566.800109.1K328K328-M330 PolarHBondContact O-N 3.22Å
331T44.3Very low47.1Very low85 Ų85130.9 Ų130.952%0.52178%0.779SS.*  trans-84.1135.9177.1-38.30000110.2H329H329-T331 PolarHBondContact CE1-OG1 3.26Å; H329-T331 PolarHBondContact NE2-OG1 3.27Å
332M54.6Low46.5Very low182 Ų182130 Ų13090%0.89778%0.781SS**  trans-136.5123.6158.5-68.5-61.9-77.600109
333S40.2Very low45.8Very low100 Ų100126.1 Ų126.170%0.69978%0.778SS**  trans-89.4151.4176.9-56.40000111.2
334S47.7Very low45.3Very low100 Ų100129.5 Ų129.570%0.69978%0.784SS**  168.4135.8108.4-83.10000112.2
335D39.9Very low45.2Very low150 Ų150124.8 Ų124.880%0.80278%0.775SS**  trans32140143.9-48.2-26.1000120.5
336S51.5Low45.6Very low97 Ų97127.4 Ų127.468%0.67878%0.777SS**  cis-168.4158.532.2-145.50000114.8
337T51.2Low45.8Very low140 Ų140131 Ų13186%0.85978%0.782SS**  trans50.9131.6156.355.50000121.5
338G42.1Very low45.9Very low77 Ų77133.6 Ų133.679%0.79478%0.78SS**  trans-173.5-9172.600000123
339S49.6Very low45.9Very low116 Ų116133 Ų13381%0.81178%0.78SS**  trans51.1109.4169.1-73.20000122
340K51.5Low46.5Very low216 Ų216136.3 Ų136.394%0.93979%0.786SS**  trans58.9109.1138.2-66.4-175.8174.7-179.90121.1
341G42.4Very low47.1Very low81 Ų81134.2 Ų134.284%0.83579%0.785SS**  trans-161.2136.3150.300000110.1
342G42Very low47.5Very low85 Ų85135.5 Ų135.588%0.87680%0.798SS**  trans-87.4169.2178.100000113
343G38Very low46.9Very low77 Ų77134.8 Ų134.879%0.79480%0.797SS**  cis146.758.9200000113.7
344F46.7Very low47.4Very low190 Ų190141.9 Ų141.983%0.83381%0.808SS**  trans-145.3136.5166.362.3-88.5000110
345D45.9Very low47.6Very low143 Ų143148.5 Ų148.577%0.76582%0.818SS**  trans-132.3121.7177-171.7-46.5000107.7R347D345-R347 PolarHBondContact OD1-N 3.33Å
346V54.2Low48.6Very low118 Ų118147 Ų14772%0.71582%0.816SS**  trans-11167.1-177-173.10000109.3L348V346-L348 VanDerWaalsContact C-N 3.33Å; V346-L348 PolarHBondContact O-N 3.31Å
347R44.8Very low48.2Very low199 Ų199150.1 Ų150.175%0.75182%0.82SS**  trans-70.183.5172.2-172.3-177.1174.9123.81.9111.6D345 E349D345-R347 PolarHBondContact OD1-N 3.33Å; R347-E349 IonicContact NE-OE1 3.49Å; R347-E349 IonicContact NH2-OE1 3.48Å; R347-E349 PolarHBondContact NH2-OE1 3.29Å; R347-E349 PolarHBondContact O-N 3.41Å; R347-E349 VanDerWaalsContact O-N 3.11Å
348L48.3Very low48.6Very low161 Ų161152 Ų15284%0.84382%0.821SS**  trans-79.590.5175.3-146.176.4000111V346V346-L348 VanDerWaalsContact C-N 3.33Å; V346-L348 PolarHBondContact O-N 3.31Å
349E50.6Low48.8Very low142 Ų142151.5 Ų151.566%0.66482%0.816SS**  trans-57.9146.4173.3-88.8-90.713100112.5R347 P351R347-E349 IonicContact NE-OE1 3.49Å; R347-E349 IonicContact NH2-OE1 3.48Å; R347-E349 PolarHBondContact NH2-OE1 3.29Å; R347-E349 PolarHBondContact O-N 3.41Å; R347-E349 VanDerWaalsContact O-N 3.11Å; E349-P351 WeakPolarHBondContact O-CD 3.43Å
350R47.1Very low48.8Very low229 Ų229149.8 Ų149.886%0.86482%0.816SS**  trans-100.7107-177.4-178.7-177-176.8177.22.5110.3S352R350-S352 PolarHBondContact O-N 2.98Å
351P56.4Low48.9Very low130 Ų130144.9 Ų144.984%0.84481%0.809SS**  trans-64.9127.4-173.4-23.435.1000113.1E349E349-P351 WeakPolarHBondContact O-CD 3.43Å
352S52Low49.3Very low113 Ų113147 Ų14779%0.7981%0.808SS**  trans-104.1156.2172.2-1690000111.3R350 R354R350-S352 PolarHBondContact O-N 2.98Å; S352-R354 PolarHBondContact O-N 3.46Å
353L42.5Very low49.8Very low167 Ų167148.8 Ų148.887%0.87481%0.807SS**  trans-68.2130.7-167.6-73.375.6000112.7
354R51.4Low50.4Low248 Ų248151.8 Ų151.894%0.93681%0.81SS**  trans-128.4134.3150.8-77.1-166.8171.6-168-1.2110.7S352S352-R354 PolarHBondContact O-N 3.46Å
355R50.8Low50.7Low240 Ų240151.3 Ų151.391%0.90682%0.815SS**  trans-109.1126.5177.8-167.6-173.2-151.9-149.96.2107.8H357R355-H357 PolarHBondContact O-N 3.26Å
356P61.2Low50.6Low117 Ų117148 Ų14876%0.7681%0.814SS**  trans-73.2129.2178.728.7-32.7000110.8
357H43.4Very low50.2Low164 Ų164146.6 Ų146.676%0.75982%0.824SS**  trans-91.2129.5156.3149.8-75.1000107.5R355R355-H357 PolarHBondContact O-N 3.26Å
358M59.3Low50.5Low180 Ų180141.2 Ų141.289%0.88783%0.831SS**  trans-138.8113.4162.7-73.6-62.8-176.600107.9
359G47.4Very low50.6Low66 Ų66142.1 Ų142.168%0.6883%0.83SS**  trans-96.4143.9167.800000110.2
360G49.6Very low51Low79 Ų79141.9 Ų141.981%0.81484%0.839SS**  trans-162.5119-179.500000111.5
361S52.7Low51.5Low113 Ų113141.4 Ų141.479%0.7984%0.837SS**  trans-43.3149.5-169.8-48.70000118.4
362P50.8Low51.6Low127 Ų127142.3 Ų142.383%0.82584%0.835SS**  trans-82.6148.4164.535.3-33.1000111.9
363S53.3Low51.9Low121 Ų121144.8 Ų144.885%0.84684%0.838SS**  trans-134.7143.9170.6-74.20000110.9
364V50.9Low52.6Low141 Ų141142 Ų14286%0.85583%0.833SS**  trans-105.5127.7-171.3172.20000111.6
365L51.8Low52.7Low179 Ų179141.8 Ų141.894%0.93783%0.834SS**  trans-172.9145.3159.5-95.8140.3000107.7
366G44.2Very low53.2Low73 Ų73137.3 Ų137.375%0.75386%0.863SS**  cis160.499-1000000113.3
367G46.3Very low52.8Low90 Ų90138.4 Ų138.493%0.92887%0.868SS**  trans89158.316800000117.2
368G49.8Very low53.3Low86 Ų86137 Ų13789%0.88787%0.873SS**  trans133.896.3176.100000113.8
369Q52.2Low53Low180 Ų180134.6 Ų134.684%0.84187%0.873SS**  trans-132.5104.5-173.7-179.9-166.592.100113
370T57.7Low53.3Low137 Ų137138.6 Ų138.684%0.8488%0.884SS**  trans-160.3129.8155.733.70000106.7
371R58Low53.5Low219 Ų219142.4 Ų142.483%0.82689%0.888SS**  66.498.652-73.2-167.8170-167.1-1.1114.8
372N58.2Low53.6Low148 Ų148144.3 Ų144.379%0.79190%0.895SS**  trans-167.6111.1135-87.1-33.5000106.6
373L59.1Low53.8Low165 Ų165145.6 Ų145.686%0.86490%0.9SS**  74.7126.187.5-96.479.2000114
374S56.5Low53.8Low109 Ų109147.5 Ų147.576%0.76290%0.904SS**  trans-97.8141.5172.4173.90000110.1
375Y53.6Low54Low243 Ų243148 Ų14895%0.95391%0.908SS**  trans-165.8137.8138.5-114.8-75.6000109
376G61.1Low54.2Low147 Ų147145.2 Ų145.2100%1.51591%0.906SS**  trans158.50-174.900000111

Retrieved 376 of 376 residues in 167.3 ms (Link to these results)